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(R)-(-)-4-甲基戊二酸单甲酯

产品名称 (R)-(-)-4-甲基戊二酸单甲酯

CAS号80986-17-0

分子式C7H12O4

分子量160.17


  • Mass

    MS-IW-9055          
    5-methyl hydrogen (R)-2-methylglutarate
    C7H12O4             (Mass of molecular ion:    160)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0      17.2
          18.0       1.8
          26.0       2.9
          27.0      22.2
          28.0      17.5
          29.0      24.3
          30.0       1.5
          31.0       9.6
          32.0       3.2
          33.0       1.6
          38.0       1.0
          39.0      13.6
          40.0       2.3
          41.0      26.6
          42.0      21.6
          43.0      46.7
          44.0       3.2
          45.0      20.3
          51.0       1.3
          53.0       4.9
          54.0       8.2
          55.0     100.0
          56.0      46.6
          57.0      11.0
          58.0       2.3
          59.0      48.5
          60.0       2.7
          68.0       1.2
          69.0      14.5
          71.0       2.2
          72.0       7.5
          73.0      20.3
          74.0      42.1
          75.0       1.7
          81.0       1.4
          82.0       9.6
          83.0      36.6
          84.0       3.9
          85.0       7.0
          86.0       1.2
          87.0      43.5
          88.0       5.2
          99.0      17.5
         100.0      36.7
         101.0      42.2
         102.0       2.5
         110.0       1.1
         113.0       1.5
         114.0      65.0
         115.0       8.4
         116.0       1.1
         128.0      19.9
         129.0      38.3
         130.0       2.7
         142.0       5.7
         143.0       4.4
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H12 O4 0.05 ml : 0.5 ml CDCl3
    5-methyl hydrogen (R)-2-methylglutarate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.3 B 3.683 C 2.533 D 2.41 E *1 1.999 F *1 1.814 G 1.222

         Hz     ppm     Int.
    

       1472.29   3.684   1000
       1023.72   2.562     41
       1016.76   2.545     63
       1009.80   2.527     65
       1002.65   2.509     45
        972.25   2.433     86
        968.95   2.425     85
        965.47   2.416    103
        963.64   2.412    116
        961.62   2.407    127
        960.89   2.405    121
        956.68   2.394     98
        953.56   2.386     96
        810.69   2.029     33
        809.78   2.027     50
        803.73   2.012     47
        802.82   2.009     53
        801.72   2.007     38
        796.96   1.995     46
        795.68   1.991     74
        788.90   1.974     60
        787.62   1.971     44
        741.27   1.855     32
        735.23   1.840     42
        734.31   1.838     47
        732.67   1.834     38
        728.27   1.823     49
        726.80   1.819     52
        725.71   1.816     43
        721.31   1.805     36
        719.84   1.802     52
        714.35   1.788     31
        712.88   1.784     30
        491.80   1.231    533
        484.84   1.214    513
    

in CDCl3



liquid film