| SpectraBase Compound ID | 1zVKW5he5mo |
|---|---|
| InChI | InChI=1S/C14H10N2S/c15-9-12(14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-8H,(H2,16,17)/b12-8- |
| InChIKey | OKOMLADKSDJMQZ-WQLSENKSSA-N |
| Mol Weight | 238.31 g/mol |
| Molecular Formula | C14H10N2S |
| Exact Mass | 238.05647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KH62pyurUMV |
|---|---|
| Name | 2-Cyano-3-(1-naphthyl)prop-2-enethioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.056469504 u |
| Formula | C14H10N2S |
| InChI | InChI=1S/C14H10N2S/c15-9-12(14(16)17)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-8H,(H2,16,17)/b12-8- |
| InChIKey | OKOMLADKSDJMQZ-WQLSENKSSA-N |
| Molecular Weight | 238.308 g/mol |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2)\C=C/(C(=S)N)C#N |