| SpectraBase Compound ID | DaD991ezbNk |
|---|---|
| InChI | InChI=1S/C8H15NO4S/c1-5(2)13-8(12)9-6(4-14-3)7(10)11/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11) |
| InChIKey | HBLBQQYRJLHRMD-UHFFFAOYSA-N |
| Mol Weight | 221.27 g/mol |
| Molecular Formula | C8H15NO4S |
| Exact Mass | 221.072179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L6xoPspPEC1 |
|---|---|
| Name | S-Methyl-L-cysteine, N-(isopropyloxycarbonyl)- |
| 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/c1-5(2)13-8(12)9-6(4-14-3)7(10)11/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11) |
| InChIKey | HBLBQQYRJLHRMD-UHFFFAOYSA-N |
| Molecular Weight | 221.271 g/mol |
| SMILES | CSCC(C(O)=O)NC(OC(C)C)=O |