| SpectraBase Compound ID | 8A58k7KuP9H |
|---|---|
| InChI | InChI=1S/C15H13NS/c17-12-16-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11H2 |
| InChIKey | SFNJUHMQHYRSJI-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 | 3hAecpxQHZM |
|---|---|
| Name | 1,2-Diphenylethyl isothiocyanate |
| 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/c17-12-16-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11H2 |
| InChIKey | SFNJUHMQHYRSJI-UHFFFAOYSA-N |
| Molecular Weight | 239.336 g/mol |
| SMILES | C(C1=CC=CC=C1)C(N=C=S)C1=CC=CC=C1 |