| SpectraBase Compound ID | 1qH4DalhcAl |
|---|---|
| InChI | InChI=1S/C9H17NO3S/c1-4-13-9(12)8(6-14-5-2)10-7(3)11/h8H,4-6H2,1-3H3,(H,10,11) |
| InChIKey | XXUXNQUAMLAIKA-UHFFFAOYSA-N |
| Mol Weight | 219.3 g/mol |
| Molecular Formula | C9H17NO3S |
| Exact Mass | 219.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mFD80m5DVM |
|---|---|
| Name | N-Acetyl-S-ethyl-L-cysteine, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.092914582 u |
| Formula | C9H17NO3S |
| InChI | InChI=1S/C9H17NO3S/c1-4-13-9(12)8(6-14-5-2)10-7(3)11/h8H,4-6H2,1-3H3,(H,10,11) |
| InChIKey | XXUXNQUAMLAIKA-UHFFFAOYSA-N |
| Molecular Weight | 219.299 g/mol |
| SMILES | C(C(OCC)=O)(NC(=O)C)CSCC |