Boc-S-Benzyl-L-cysteine(5068-28-0) 1H NMR
Product NameBoc-S-Benzyl-L-cysteine
CAS5068-28-0
Molecular FormulaC15H21NO4S
Molecular Weight311.4
InChIInChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKey IFVORPLRHYROAA-LBPRGKRZSA-N
SmilesC(O)(=O)[C@H](CSCC1=CC=CC=C1)NC(OC(C)(C)C)=O
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MassMS-IW-6986 S-benzyl-N-(tert-butoxycarbonyl)-L-cysteine C15H21NO4S (Mass of molecular ion: 311)
Source Temperature: 180 °C Sample Temperature: 180 °C Direct, 75 eV
17.0 1.6 18.0 8.6 27.0 2.9 28.0 5.2 29.0 2.9 30.0 1.1 31.0 3.8 38.0 1.0 39.0 8.4 40.0 2.3 41.0 22.3 42.0 3.1 43.0 4.4 44.0 20.5 45.0 4.4 50.0 1.5 51.0 2.6 53.0 1.3 55.0 4.9 56.0 11.3 57.0 5.1 59.0 12.7 63.0 1.6 65.0 8.8 74.0 3.6 77.0 2.1 89.0 3.3 90.0 1.0 91.0 100.0 92.0 9.3 121.0 2.5 122.0 3.5 123.0 4.0 124.0 7.8 137.0 21.6 138.0 6.4 139.0 1.5 161.0 1.0 165.0 2.0 166.0 1.0 176.0 1.0 194.0 2.8 211.0 1.4 237.0 10.1 238.0 1.7 255.0 5.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H21 N O4 S 0.041 g : 0.5 ml CDCl3 S-benzyl-N-(tert-butoxycarbonyl)-L-cysteine 
Assign. Shift(ppm)
A 10.5 B 7.30 C 7.24 D 5.326 E 4.54 F 3.734 G 2.90 J 1.453
Hz ppm Int.2920.07 7.307 524 2915.50 7.296 841 2911.53 7.286 46 2908.33 7.278 20 2906.80 7.274 22 2904.36 7.268 27 2896.27 7.248 71 2891.69 7.236 78 2886.96 7.224 40 2131.65 5.334 29 2131.35 5.334 29 2123.87 5.315 30 1820.22 4.555 26 1817.78 4.549 24 1814.27 4.540 26 1813.81 4.539 26 1492.31 3.735 215 1157.38 2.896 33 1149.90 2.878 31 580.75 1.454 1000
in CDCl3
KBr disc
nujol mull
