| SpectraBase Compound ID | KhAMwJzHgmC |
|---|---|
| InChI | InChI=1S/C16H14O2S2/c17-15(13-7-3-1-4-8-13)11-19-20-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | PTEHRJFFCZRFGS-UHFFFAOYSA-N |
| Mol Weight | 302.41 g/mol |
| Molecular Formula | C16H14O2S2 |
| Exact Mass | 302.043522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HOZyM3CgsI |
|---|---|
| Name | 2-(Phenacyldisulfanyl)-1-phenyl-ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.043522037 u |
| Formula | C16H14O2S2 |
| InChI | InChI=1S/C16H14O2S2/c17-15(13-7-3-1-4-8-13)11-19-20-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | PTEHRJFFCZRFGS-UHFFFAOYSA-N |
| SMILES | C(=O)(C=1C=CC=CC1)CSSCC(=O)C=1C=CC=CC1 |