| SpectraBase Compound ID | DBhcs0OWto1 |
|---|---|
| InChI | InChI=1S/C13H13NS/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2 |
| InChIKey | XVUKOTZEXLIZIB-UHFFFAOYSA-N |
| Mol Weight | 215.31 g/mol |
| Molecular Formula | C13H13NS |
| Exact Mass | 215.076871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RqMtaTaaEB |
|---|---|
| Name | Aniline, m-(benzylthio)-; benzenamine, 3-[(phenylmethyl)thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.076870597 u |
| Formula | C13H13NS |
| InChI | InChI=1S/C13H13NS/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2 |
| InChIKey | XVUKOTZEXLIZIB-UHFFFAOYSA-N |
| Molecular Weight | 215.314 g/mol |
| SMILES | NC=1C=C(SCC=2C=CC=CC2)C=CC1 |