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网站主页CAS数据库列表 86961-07-1更多图谱R)-(+)-3-(乙酰硫基)异丁酸甲酯(86961-07-1)核磁图(13CNMR)

R)-(+)-3-(乙酰硫基)异丁酸甲酯

产品名称 R)-(+)-3-(乙酰硫基)异丁酸甲酯

CAS号86961-07-1

分子式C7H12O3S

分子量176.23


  • Mass

    MS-IW-9088          
    methyl (R)-3-acetylthio-2-methylpropionate
    C7H12O3S            (Mass of molecular ion:    176)
    

       Source Temperature: 210 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.4
          15.0       7.2
          27.0       2.2
          28.0       2.8
          29.0       2.0
          31.0       1.7
          32.0       1.0
          33.0       1.5
          39.0       4.0
          40.0       1.0
          41.0      12.5
          42.0      32.0
          43.0     100.0
          44.0       2.5
          45.0       5.2
          46.0       1.6
          47.0       3.0
          55.0       1.7
          56.0       1.9
          57.0       3.0
          59.0       7.4
          69.0       5.1
          73.0       3.1
          74.0       4.3
          75.0       4.1
          77.0       1.1
          87.0       2.0
          88.0       3.5
         101.0       9.7
         102.0       6.0
         103.0       3.7
         116.0       2.9
         117.0       2.1
         133.0       5.8
         134.0      12.6
         135.0       1.1
         144.0      16.6
         145.0       7.4
         146.0       1.3
         176.0       3.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H12 O3 S 0.05 ml : 0.5 ml CDCl3
    methyl (R)-3-acetylthio-2-methylpropionate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.699 B *1 3.107 C *1 3.053 D 2.699 E 2.336 F 1.241

         Hz     ppm     Int.
    

       1478.52   3.700   1000
       1255.49   3.142     61
       1247.92   3.123     66
       1241.82   3.108    158
       1234.38   3.089    171
       1227.05   3.071    165
       1220.95   3.056    181
       1213.50   3.037     66
       1207.28   3.021     67
       1089.11   2.726     52
       1082.89   2.710     63
       1081.91   2.708     77
       1075.68   2.692     75
       1074.58   2.689     61
       1068.36   2.674     48
        933.72   2.337    968
        499.76   1.251    591
        492.68   1.233    589
    

in CDCl3



liquid film