| SpectraBase Spectrum ID |
JPqexfUH31l |
| Name |
S-Methyl-L-cysteine, N-(isopropyloxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.087829201 u |
| Formula |
C9H17NO4S |
| InChI |
InChI=1S/C9H17NO4S/c1-6(2)14-9(12)10-7(5-15-4)8(11)13-3/h6-7H,5H2,1-4H3,(H,10,12) |
| InChIKey |
IEEMDJUQWCHNAZ-UHFFFAOYSA-N |
| Molecular Weight |
235.298 g/mol |
| SMILES |
CSCC(C(OC)=O)NC(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869875 |
