| SpectraBase Compound ID | 2jCiFRcnXkr |
|---|---|
| InChI | InChI=1S/C8H15NO4S/c1-3-4-13-8(12)9-6(5-14-2)7(10)11/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11) |
| InChIKey | UASJNMIWFAGUML-UHFFFAOYSA-N |
| Mol Weight | 221.27 g/mol |
| Molecular Formula | C8H15NO4S |
| Exact Mass | 221.072179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EwitozNRRse |
|---|---|
| Name | S-Methyl-L-cysteine, N-(N-propyloxycarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.072179137 u |
| Formula | C8H15NO4S |
| InChI | InChI=1S/C8H15NO4S/c1-3-4-13-8(12)9-6(5-14-2)7(10)11/h6H,3-5H2,1-2H3,(H,9,12)(H,10,11) |
| InChIKey | UASJNMIWFAGUML-UHFFFAOYSA-N |
| Molecular Weight | 221.271 g/mol |
| SMILES | CSCC(C(O)=O)NC(OCCC)=O |