| SpectraBase Compound ID | G0RL3Ws0nba |
|---|---|
| InChI | InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1 |
| InChIKey | BJUXDERNWYKSIQ-NSHDSACASA-N |
| Mol Weight | 253.32 g/mol |
| Molecular Formula | C12H15NO3S |
| Exact Mass | 253.077265 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 | GygjjWh5sAM |
|---|---|
| Name | S-Benzyl-N-acetyl-cysteine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.077264518 u |
| Formula | C12H15NO3S |
| InChI | InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1 |
| InChIKey | BJUXDERNWYKSIQ-NSHDSACASA-N |
| Molecular Weight | 253.316 g/mol |
| SMILES | C([C@@](NC(=O)C)(CSCC=1C=CC=CC1)[H])(=O)O |