| SpectraBase Compound ID | 5y9xCaxi40b |
|---|---|
| InChI | InChI=1S/C7H13NO4S/c1-11-6(9)5(4-13-3)8-7(10)12-2/h5H,4H2,1-3H3,(H,8,10) |
| InChIKey | DWNHKNHBAFRNLW-UHFFFAOYSA-N |
| Mol Weight | 207.24 g/mol |
| Molecular Formula | C7H13NO4S |
| Exact Mass | 207.056529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EimgxtjsDDW |
|---|---|
| Name | S-Methyl-L-cysteine, N-(methoxycarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.056529073 u |
| Formula | C7H13NO4S |
| InChI | InChI=1S/C7H13NO4S/c1-11-6(9)5(4-13-3)8-7(10)12-2/h5H,4H2,1-3H3,(H,8,10) |
| InChIKey | DWNHKNHBAFRNLW-UHFFFAOYSA-N |
| Molecular Weight | 207.244 g/mol |
| SMILES | CSCC(C(OC)=O)NC(OC)=O |