| SpectraBase Compound ID | CAxfGH67wil |
|---|---|
| InChI | InChI=1S/C9H10OS2/c1-8(10)12-11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey | MLZUENUQJKVZKC-UHFFFAOYSA-N |
| Mol Weight | 198.3 g/mol |
| Molecular Formula | C9H10OS2 |
| Exact Mass | 198.017307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BP3icZ9MjF6 |
|---|---|
| Name | Acetyl benzyl disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.017307289 u |
| Formula | C9H10OS2 |
| InChI | InChI=1S/C9H10OS2/c1-8(10)12-11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey | MLZUENUQJKVZKC-UHFFFAOYSA-N |
| Molecular Weight | 198.298 g/mol |
| SMILES | C1=CC=CC(=C1)CSSC(=O)C |