| SpectraBase Compound ID | 4Z480JxeFEA |
|---|---|
| InChI | InChI=1S/C16H13NOS/c17-12-19-16(14-9-5-2-6-10-14)11-15(18)13-7-3-1-4-8-13/h1-10,16H,11H2 |
| InChIKey | DCRKEFAQEDFBBR-UHFFFAOYSA-N |
| Mol Weight | 267.35 g/mol |
| Molecular Formula | C16H13NOS |
| Exact Mass | 267.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jw27e1GHgTo |
|---|---|
| Name | Thiocyanic acid, ester with 3-mercapto-3-phenylpropiophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.071785216 u |
| Formula | C16H13NOS |
| InChI | InChI=1S/C16H13NOS/c17-12-19-16(14-9-5-2-6-10-14)11-15(18)13-7-3-1-4-8-13/h1-10,16H,11H2 |
| InChIKey | DCRKEFAQEDFBBR-UHFFFAOYSA-N |
| Molecular Weight | 267.346 g/mol |
| SMILES | C=1C(=CC=CC1)C(CC(=O)C=1C=CC=CC1)SC#N |