| SpectraBase Spectrum ID |
5g8NmqS4ZKR |
| Name |
S-Benzyl-N-isopropyloxycarbonyl-L-cysteine, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.119129330 u |
| Formula |
C15H21NO4S |
| InChI |
InChI=1S/C15H21NO4S/c1-11(2)20-15(18)16-13(14(17)19-3)10-21-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18) |
| InChIKey |
WSYPYUFSXMDQCN-UHFFFAOYSA-N |
| Molecular Weight |
311.396 g/mol |
| SMILES |
C1(=CC=CC=C1)CSCC(NC(OC(C)C)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925467 |
