| SpectraBase Compound ID | 3VB1jvzgWz8 |
|---|---|
| InChI | InChI=1S/C15H13NS/c1-11-15(17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)16-11/h2-10,16H,1H3 |
| InChIKey | XIOLLGNEJMLTKR-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 | JKXVgHZOV9V |
|---|---|
| Name | 2-Methyl-3-phenylsulfanyl-1H-indole |
| 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/c1-11-15(17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)16-11/h2-10,16H,1H3 |
| InChIKey | XIOLLGNEJMLTKR-UHFFFAOYSA-N |
| Molecular Weight | 239.336 g/mol |
| SMILES | C1=CC=C2C(=C1)C(SC1=CC=CC=C1)=C(N2)C |