| SpectraBase Compound ID | 7417LCq0OBr |
|---|---|
| InChI | InChI=1S/C10H19NO3S/c1-7(2)4-5-14-10(13)9(6-15)11-8(3)12/h7,9,15H,4-6H2,1-3H3,(H,11,12) |
| InChIKey | GYGKUWNETYLAIU-UHFFFAOYSA-N |
| Mol Weight | 233.33 g/mol |
| Molecular Formula | C10H19NO3S |
| Exact Mass | 233.108565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 71hliyaUIE4 |
|---|---|
| Name | N-Acetyl-L-cysteine, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.108564647 u |
| Formula | C10H19NO3S |
| InChI | InChI=1S/C10H19NO3S/c1-7(2)4-5-14-10(13)9(6-15)11-8(3)12/h7,9,15H,4-6H2,1-3H3,(H,11,12) |
| InChIKey | GYGKUWNETYLAIU-UHFFFAOYSA-N |
| Molecular Weight | 233.326 g/mol |
| SMILES | C(C(OCCC(C)C)=O)(NC(=O)C)CS |