17277-58-6

苯基硫代乙酸甲酯(17277-58-6)红外图谱(IR1)

产品名称:苯基硫代乙酸甲酯

CAS:17277-58-6

分子式:C9H10O2S

分子量: 182.24

InChI:InChI=1S/C9H10O2S/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey: MUNSXQQODXYRKI-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0521          
methyl (phenylthio)acetate
C9H10O2S            (Mass of molecular ion:    182)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.9
      28.0       1.4
      39.0       5.4
      42.0       1.5
      45.0      42.8
      46.0       1.6
      47.0       2.0
      50.0       3.1
      51.0       9.7
      59.0       1.9
      63.0       1.5
      65.0       9.1
      66.0       1.0
      69.0       4.1
      77.0       9.6
      78.0       1.9
      79.0       5.7
      82.0       1.1
      91.0       1.6
     108.0       2.1
     109.0      11.0
     110.0       2.2
     121.0       2.9
     123.0     100.0
     124.0       8.6
     125.0       5.0
     182.0      49.7
     183.0       5.4
     184.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉H₁₀O₂S	0.05 ml : 0.5 ml CDCl₃
methyl (phenylthio)acetate

    Assign.     Shift(ppm)

     A           7.385
     B           7.281
     C           7.209
     D           3.681
     E           3.630

     Hz     ppm     Int.

   2958.01   7.400    165
   2956.55   7.396    229
   2954.59   7.391     68
   2950.69   7.381    134
   2949.47   7.378    237
   2948.37   7.375    223
   2946.05   7.370     36
   2918.83   7.302     44
   2917.97   7.299     92
   2917.00   7.297    150
   2915.17   7.292     58
   2911.99   7.284     57
   2909.80   7.279    281
   2908.21   7.275    136
   2903.57   7.263     81
   2902.10   7.260    152
   2888.31   7.225     73
   2886.97   7.222    130
   2885.75   7.219     72
   2881.84   7.209     51
   2879.64   7.204    131
   2877.32   7.198     37
   2873.66   7.189     31
   2872.44   7.185     50
   2871.10   7.182     27
   1543.71   3.862     10
   1521.12   3.805      6
   1490.73   3.729      5
   1471.20   3.680   1000
   1451.18   3.630    740
   1396.25   3.493     10
   1379.77   3.452      7

in CDCl3