3257-18-9

N-苄氧羰基-S-苄基-L-半胱氨酸(3257-18-9)红外图谱(IR1)

分子式:C18H19NO4S

分子量: 345.41

InChI:InChI=1S/C18H19NO4S/c20-17(21)16(13-24-12-15-9-5-2-6-10-15)19-18(22)23-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/t16-/m0/s1

InChIKey: ATPNWHGYKFXQNF-INIZCTEOSA-N

Smiles:C(O)(=O)[C@H](CSCC1=CC=CC=C1)NC(OCC1=CC=CC=C1)=O

Mass

MS-NW-6179          
S-benzyl-N-benzyloxycarbonyl-L-cysteine
C18H19NO4S          (Mass of molecular ion:    345)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       2.1
      27.0       2.4
      28.0       2.5
      38.0       1.2
      39.0       6.1
      41.0       2.2
      43.0       2.2
      44.0       2.0
      45.0       4.8
      50.0       3.0
      51.0       6.4
      52.0       1.8
      53.0       1.1
      62.0       1.2
      63.0       3.6
      64.0       1.0
      65.0      11.3
      74.0       1.1
      77.0      10.3
      78.0       2.8
      79.0      17.9
      80.0       2.0
      89.0       3.2
      90.0       2.5
      91.0     100.0
      92.0       8.7
     107.0      11.4
     108.0      15.8
     109.0       1.3
     121.0       1.8
     122.0       1.5
     123.0       4.1
     124.0       2.5
     137.0      15.4
     138.0       1.6
     210.0       1.2
     237.0      11.0
     238.0       1.6
     254.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₉ N O₄ S	0.038 g : 0.5 ml CDCl₃
S-benzyl-N-benzyloxycarbonyl-L-cysteine

    Assign.     Shift(ppm)

      A            10.1
      B             7.34
      C             7.32
      D             7.26
      E             7.22
      F             5.59
      G             5.11
      J             4.60
      K             3.694
      L             2.88

     Hz     ppm     Int.

   4037.17  10.102     37
   2938.54   7.353    473
   2934.42   7.343    924
   2927.25   7.325    300
   2924.04   7.317    300
   2919.01   7.304    185
   2915.95   7.297    172
   2906.80   7.274    318
   2900.85   7.259   1000
   2889.71   7.231    188
   2888.18   7.227    175
   2883.91   7.217    141
   2881.32   7.210    150
   2877.96   7.202     83
   2875.37   7.195     64
   2237.09   5.598    116
   2229.31   5.579    122
   2057.50   5.149     84
   2045.29   5.118    787
   2041.93   5.110    479
   2029.57   5.079     63
   1846.16   4.620     44
   1844.33   4.615     37
   1840.67   4.606     89
   1838.38   4.600     75
   1833.04   4.587     88
   1827.70   4.574     47
   1476.59   3.695    564
   1466.83   3.671     54
   1465.91   3.668     55
   1465.45   3.667     55
   1465.00   3.666     55
   1463.93   3.664     56
   1460.27   3.654     63
   1459.81   3.653     62
   1160.43   2.904    122
   1155.70   2.892    136
   1152.04   2.883    135
   1146.09   2.868    125

in CDCl3