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网站主页CAS数据库列表 469-77-2更多图谱4,5-二羧基-Γ-十五内酯(469-77-2)红外图谱(IR1)

4,5-二羧基-Γ-十五内酯

产品名称 4,5-二羧基-Γ-十五内酯

CAS号469-77-2

分子式C17H28O6

分子量328.4

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  • Mass

    MS-NW-9781          
    2-carboxy-alpha-decyl-5-oxotetrahydro-2-furanacetic acid
    C17H28O6            (Mass of molecular ion:    328)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       2.7
          27.0       2.8
          28.0       1.0
          29.0       5.4
          39.0       3.1
          41.0      12.9
          42.0       2.2
          43.0      11.9
          44.0       1.1
          53.0       2.7
          54.0       1.7
          55.0      13.3
          56.0       2.3
          57.0       5.6
          65.0       2.8
          66.0       1.9
          67.0       8.1
          68.0       3.5
          69.0       6.9
          70.0       2.8
          71.0       3.4
          77.0       4.5
          78.0       1.3
          79.0       9.1
          80.0       3.2
          81.0       8.6
          82.0       5.0
          83.0       7.7
          84.0       2.4
          85.0       2.7
          91.0       5.3
          92.0       1.6
          93.0       8.8
          94.0       4.8
          95.0       8.3
          96.0       5.0
          97.0       5.2
          98.0       5.5
          99.0       2.3
         101.0       1.1
         105.0       3.6
         106.0       1.4
         107.0       6.3
         108.0       3.6
         109.0       6.0
         110.0       5.4
         111.0      18.1
         112.0       5.1
         113.0       1.6
         114.0       2.4
         117.0       1.3
         119.0       3.5
         120.0       1.9
         121.0       6.2
         122.0       5.2
         123.0       5.8
         124.0       5.3
         125.0       7.9
         126.0       4.5
         127.0       3.8
         131.0       1.4
         132.0       1.6
         133.0       3.5
         134.0       3.2
         135.0       6.6
         136.0       8.3
         137.0       6.6
         138.0      26.5
         139.0      11.3
         140.0      10.2
         141.0       1.7
         142.0       1.3
         143.0       1.8
         145.0       1.2
         147.0       3.3
         148.0       4.5
         149.0       7.0
         150.0       5.5
         151.0       9.4
         152.0      10.5
         153.0      10.7
         154.0       5.4
         155.0       1.5
         161.0       4.2
         162.0       5.8
         163.0       4.2
         164.0       4.5
         165.0       7.5
         166.0     100.0
         167.0      15.0
         168.0       4.9
         169.0       1.1
         175.0       3.0
         176.0       4.2
         177.0       4.3
         178.0       5.4
         179.0       8.1
         180.0      22.3
         181.0       5.4
         182.0       2.2
         184.0      22.0
         185.0       2.7
         189.0       2.9
         190.0       4.6
         191.0       4.7
         192.0       3.0
         193.0      15.5
         194.0       9.8
         195.0       2.7
         196.0       2.1
         198.0       1.5
         203.0       2.0
         204.0       2.6
         205.0       3.1
         206.0       2.2
         207.0       4.6
         208.0       5.2
         209.0       4.1
         210.0       1.5
         217.0       1.1
         218.0       2.1
         219.0       3.2
         220.0       2.4
         221.0       2.0
         222.0       3.6
         223.0       2.1
         232.0       1.3
         235.0       1.1
         236.0       5.0
         237.0       2.6
         238.0       2.4
         246.0       5.5
         247.0       3.6
         248.0       1.7
         250.0       3.4
         264.0       9.3
         265.0       3.5
         266.0       1.4
         274.0       1.1
         292.0       7.4
         293.0       2.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C17 H28 O6 0.043 g : 0.5 ml DMSO-d6
    2-carboxy-alpha-decyl-5-oxotetrahydro-2-furanacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 2.834 C 2.55 to 2.48 D 2.38 to 2.34 E *1 1.72 F *1 1.42 G 1.28 J 1.24 K 0.856 J(B,E)=10.7HZ J(B,F)=2.8HZ ASSIGNED BY H-H AND C-H COSY.

         Hz     ppm     Int.
    

       1140.00   2.853     55
       1137.23   2.846     63
       1129.32   2.826     66
       1126.11   2.818     62
       1018.63   2.549     37
       1017.35   2.546     30
       1008.80   2.525     90
        995.34   2.491     76
        990.64   2.479     63
        951.54   2.381     63
        948.33   2.373     67
        946.83   2.370     72
        942.56   2.359     51
        939.14   2.350     81
        929.31   2.326     34
        517.12   1.294     83
        510.06   1.277    121
        495.11   1.239   1000
        349.16   0.874    126
        342.54   0.858    427
        335.48   0.840    153
    

in DMSO-d6



KBr disc



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