| SpectraBase Compound ID | 4z92Ge0OrUX |
|---|---|
| InChI | InChI=1S/C15H13NS/c16-12-15(11-13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11H2 |
| InChIKey | YMXOXWHWWTXKCQ-UHFFFAOYSA-N |
| Mol Weight | 239.34 g/mol |
| Molecular Formula | C15H13NS |
| Exact Mass | 239.076871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fG6non4K1e |
|---|---|
| Name | .alpha.-(Phenylthio) (2'-phenylethyl) cyanide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.076870597 u |
| Formula | C15H13NS |
| InChI | InChI=1S/C15H13NS/c16-12-15(11-13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11H2 |
| InChIKey | YMXOXWHWWTXKCQ-UHFFFAOYSA-N |
| Molecular Weight | 239.336 g/mol |
| SMILES | C(#N)C(SC1=CC=CC=C1)CC1=CC=CC=C1 |