图谱信息 供应商 相关产品
网站主页CAS数据库列表 1115-82-8更多图谱(S)-2-甲基戊二酸(1115-82-8)核磁图(13CNMR)

(S)-2-甲基戊二酸

产品名称 (S)-2-甲基戊二酸

CAS号1115-82-8

分子式C6H10O4

分子量146.14

展开


  • Mass

    MS-IW-9077          
    (S)-(+)-2-methylglutaric acid
    C6H10O4             (Mass of molecular ion:    146)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       1.6
          17.0       3.3
          18.0      15.6
          26.0       5.0
          27.0      25.1
          28.0      27.0
          29.0      22.4
          30.0       1.7
          31.0       5.0
          38.0       1.7
          39.0      16.1
          40.0       3.2
          41.0      39.1
          42.0      47.5
          43.0      27.7
          44.0       1.8
          45.0      22.1
          46.0       1.0
          50.0       1.5
          51.0       1.7
          53.0       4.5
          54.0       6.8
          55.0      70.7
          56.0     100.0
          57.0       8.8
          58.0       7.1
          59.0      15.2
          60.0      35.0
          61.0       1.7
          69.0      24.7
          70.0       1.2
          71.0       1.6
          72.0       4.0
          73.0      14.8
          74.0      23.2
          82.0       4.9
          83.0      15.3
          84.0      10.4
          85.0       8.8
          86.0       1.4
          87.0      11.2
          99.0       2.0
         100.0      90.2
         101.0      11.4
         102.0       2.3
         128.0      22.7
         129.0       7.5
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H10 O4 0.040 g : 0.5 ml DMSO-d6
    (S)-(+)-2-methylglutaric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.1 B 2.349 C 2.22 D *1 1.766 E *1 1.585 F 1.061

         Hz     ppm     Int.
    

       4838.89  12.108    119
        949.72   2.377     76
        942.57   2.359    136
        935.61   2.342    141
        928.65   2.324     87
        897.70   2.247    164
        896.23   2.243    166
        890.74   2.229    214
        889.09   2.225    356
        882.13   2.208    205
        881.21   2.205    203
        724.06   1.812     39
        716.36   1.793     96
        710.32   1.778     75
        708.85   1.774     96
        702.44   1.758    124
        695.48   1.741    101
        687.61   1.721     45
        649.69   1.626     51
        642.73   1.609     88
        641.08   1.605     62
        636.14   1.592    109
        634.67   1.589     85
        627.71   1.571     94
        622.22   1.557     57
        621.30   1.555     53
        613.97   1.537     32
        427.69   1.071   1000
        420.73   1.053    969
    

in DMSO-d6



KBr disc



nujol mull