2-巰基丙酸乙酯(19788-49-9)核磁圖(¹HNMR)

產(chǎn)品名稱(chēng):2-巰基丙酸乙酯

CAS:19788-49-9

分子式:C5H10O2S

分子量: 134.2

InChI:InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3

InChIKey: LXXNWCFBZHKFPT-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C(S)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3838          
ethyl 2-mercaptopropionate
C5H10O2S            (Mass of molecular ion:    134)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       2.2
      27.0      13.2
      28.0       5.0
      29.0      23.1
      35.0       6.0
      43.0       1.6
      45.0       6.1
      46.0       1.0
      47.0       1.5
      55.0       4.1
      56.0       4.5
      57.0       1.1
      58.0       2.5
      59.0       9.1
      60.0      28.4
      61.0     100.0
      62.0       6.7
      63.0       6.3
      73.0       2.7
      74.0       1.4
      88.0      30.7
      89.0       6.9
      90.0       1.9
      91.0       1.2
      97.0       1.3
     106.0       4.1
     134.0      44.9
     135.0       3.1
     136.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ O₂ S	0.05 ml : 0.5 ml CDCl₃
ethyl 2-mercaptopropionate

    Assign.     Shift(ppm)

      A     *1      4.20
      B     *1      4.18
      C             3.495
      D             2.176
      E             1.518
      F             1.291
     
     J(C,D)=8.3 Hz

     Hz     ppm     Int.

   1686.28   4.220    112
   1684.94   4.217    125
   1682.74   4.211     36
   1679.08   4.202    327
   1677.73   4.198    328
   1671.88   4.184    320
   1670.65   4.181    338
   1666.99   4.172     40
   1664.79   4.166    119
   1663.57   4.163    130
   1659.91   4.154     30
   1411.62   3.533     53
   1404.66   3.515    168
   1403.32   3.512     75
   1397.58   3.498    179
   1396.24   3.494    184
   1390.50   3.480     67
   1389.28   3.477    174
   1382.20   3.459     62
    873.66   2.187    342
    865.23   2.165    330
    610.47   1.528    849
    603.39   1.510    797
    599.37   1.500     52
    522.95   1.309    643
    520.63   1.303     52
    519.90   1.301     48
    515.87   1.291   1000
    511.35   1.280     39
    508.67   1.273    611
    504.27   1.262     32

in CDCl3