5466-06-8

3-巯基丙酸乙酯(5466-06-8)核磁图(¹³CNMR)

产品名称:3-巯基丙酸乙酯

CAS:5466-06-8

分子式:C5H10O2S

分子量: 134.2

InChI:InChI=1S/C5H10O2S/c1-2-7-5(6)3-4-8/h8H,2-4H2,1H3

InChIKey: CJQWLNNCQIHKHP-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCS

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3837          
ethyl 3-mercaptopropionate
C5H10O2S            (Mass of molecular ion:    134)

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

      26.0       2.7
      27.0      19.4
      28.0      21.8
      29.0      22.6
      31.0       1.2
      33.0       1.0
      34.0       1.4
      35.0       6.6
      42.0       3.6
      43.0       8.4
      44.0       1.5
      45.0      10.9
      46.0       6.1
      47.0      15.9
      55.0      10.2
      56.0       1.4
      57.0       1.5
      58.0       5.0
      59.0      11.4
      60.0      54.3
      61.0      77.3
      62.0       6.1
      63.0       7.2
      71.0       1.0
      73.0      12.0
      75.0       1.7
      87.0      19.6
      88.0      96.1
      89.0      52.1
      90.0      10.4
      91.0       2.9
     101.0       4.3
     105.0       2.1
     106.0       7.7
     134.0     100.0
     135.0       6.5
     136.0       5.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ O₂ S	0.05 ml : 0.5 ml CDCl₃
ethyl 3-mercaptopropionate

    Assign.     Shift(ppm)

      A             4.166
      B             2.770
      C             2.647
      D             1.669
      E             1.275

     Hz     ppm     Int.

   1675.90   4.194    203
   1668.70   4.176    529
   1661.62   4.158    521
   1654.42   4.140    209
   1119.63   2.802    113
   1118.65   2.800    124
   1111.94   2.783    350
   1111.33   2.781    224
   1110.23   2.779    148
   1105.83   2.767    214
   1105.22   2.766    261
   1104.74   2.765    244
   1104.25   2.764    236
   1103.52   2.762    313
   1097.66   2.747    189
   1096.80   2.745    211
   1064.21   2.663    310
   1063.60   2.662    339
   1057.50   2.647    429
   1050.78   2.630    171
   1049.80   2.627    194
    675.29   1.690    253
    666.99   1.669    429
    658.57   1.648    225
    516.48   1.293    672
    512.94   1.284     34
    509.40   1.275   1000
    502.20   1.257    620

in CDCl3