7605-25-6

(甲基硫代)醋酸乙酯(7605-25-6)核磁圖(¹³CNMR)

產(chǎn)品名稱:(甲基硫代)醋酸乙酯

CAS:7605-25-6

分子式:C10H12O2S

分子量: 196.27

InChI:InChI=1S/C10H12O2S/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey: SEDRTXNDGKRHBL-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CSC1=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1258          
ethyl (phenylthio)acetate
C10H12O2S           (Mass of molecular ion:    196)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.4
      29.0       5.0
      39.0       2.5
      45.0      22.8
      47.0       1.1
      50.0       1.5
      51.0       5.5
      65.0       5.7
      69.0       2.4
      77.0       7.2
      78.0       2.5
      79.0       3.7
      91.0       1.9
     108.0       1.7
     109.0       9.5
     110.0       4.8
     121.0       2.3
     123.0     100.0
     124.0       9.1
     125.0       5.0
     151.0       1.1
     196.0      75.3
     197.0       9.2
     198.0       4.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₂ O₂ S	0.05 ml : 0.5 ml CDCl₃
ethyl (phenylthio)acetate

    Assign.     Shift(ppm)

      A             7.394
      B             7.274
      C             7.199
      D             4.135
      E             3.611
      F             1.192

     Hz     ppm     Int.

   2960.94   7.409    217
   2959.35   7.405    310
   2957.52   7.401     90
   2953.49   7.391    176
   2952.27   7.388    330
   2951.42   7.386    319
   2948.97   7.379     57
   2914.92   7.294    112
   2914.18   7.292    195
   2912.35   7.288     72
   2906.98   7.274    369
   2905.40   7.270    183
   2901.37   7.260     83
   2900.76   7.259    108
   2899.29   7.255    222
   2896.97   7.249     43
   2885.38   7.220     90
   2884.03   7.217    169
   2882.81   7.214     99
   2878.91   7.204     64
   2876.83   7.199    199
   2874.39   7.193     54
   2870.48   7.183     40
   2869.38   7.180     69
   2868.16   7.177     40
   1663.45   4.163    182
   1656.25   4.145    487
   1649.17   4.127    487
   1641.97   4.109    188
   1443.36   3.612   1000
    484.01   1.212    525
    476.93   1.194    869
    469.60   1.176    504

in CDCl3