S-Trityl-L-cysteine(2799-07-7) IR2
Product NameS-Trityl-L-cysteine
CAS2799-07-7
Molecular FormulaC22H21NO2S
Molecular Weight363.47
InChIInChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1
InChIKey DLMYFMLKORXJPO-FQEVSTJZSA-N
SmilesC(O)(=O)[C@H](CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N
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MassMS2014-05045CW S-trityl-L-cysteine C22H21NO2S (Mass of molecular ion: 363)
Source Temperature: 255 °C Sample Temperature: 100 °C Direct, 70 eV
17.0 1.2 18.0 4.2 27.0 2.5 28.0 2.4 30.0 1.1 32.0 1.1 34.0 2.2 39.0 3.1 41.0 1.5 42.0 3.5 43.0 1.1 44.0 8.2 45.0 1.0 50.0 1.6 51.0 4.9 52.0 1.1 62.0 1.0 63.0 3.3 64.0 1.0 65.0 1.2 72.0 1.1 74.0 2.3 75.0 2.3 76.0 2.4 77.0 3.7 78.0 3.1 86.0 1.1 87.0 1.9 88.0 1.7 89.0 2.1 91.0 3.4 93.5 1.0 94.5 3.2 100.0 1.4 101.0 3.1 102.0 1.1 106.5 3.2 107.0 1.6 107.5 3.8 108.0 1.5 113.0 5.3 113.5 1.3 114.0 2.2 115.0 5.8 118.5 2.3 119.0 2.6 119.5 7.4 120.0 5.1 120.5 1.5 121.0 1.0 121.5 1.6 126.0 1.5 139.0 5.0 150.0 1.2 151.0 1.4 152.0 3.7 163.0 6.0 164.0 6.6 165.0 100.0 166.0 19.8 167.0 9.6 168.0 1.3 176.0 1.7 187.0 1.7 188.0 1.1 189.0 3.5 200.0 1.7 201.0 1.3 202.0 5.5 203.0 1.6 213.0 3.6 214.0 1.1 215.0 11.1 216.0 2.7 226.0 5.6 227.0 3.4 228.0 12.8 229.0 3.1 237.0 2.6 238.0 1.5 239.0 20.0 240.0 7.8 241.0 35.7 242.0 33.9 243.0 89.6 244.0 28.2 245.0 4.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C22 H21 N O2 S 0.036 g : 0.5 ml DMSO-d6 S-trityl-L-cysteine 
Assign. Shift(ppm)
A 7.33 B 7.24 C 2.978 D *1 2.582 E *1 2.451
Hz ppm Int.2931.64 7.336 907 2927.37 7.325 1000 2923.22 7.315 93 2919.56 7.306 48 2918.09 7.302 53 2916.50 7.298 61 2914.79 7.294 42 2908.94 7.279 63 2908.20 7.277 61 2904.05 7.267 92 2899.90 7.257 148 2895.63 7.246 159 2891.48 7.236 106 2886.84 7.224 75 2885.01 7.219 67 2878.30 7.203 36 1188.72 2.975 32 1029.54 2.577 34 989.62 2.477 34 980.59 2.454 34
in DMSO-d6
KBr disc
nujol mull
