Product NameZ-CYS(BZL)-OH
CAS3257-18-9
Molecular FormulaC18H19NO4S
Molecular Weight345.41
InChIInChI=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
SmilesC(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 |
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Assign. Shift(ppm) |
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
KBr disc
nujol mull
Z-CYS(BZL)-OH(3257-18-9) 13C NMR Atlas of Related Products
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