![2-[(4-Methylphenyl)sulfanyl]-1H-indole](/api/spectrum/3TBzlmNtpYf/structure.png?h=300&w=458 "2-[(4-Methylphenyl)sulfanyl]-1H-indole")
| SpectraBase Compound ID | 8oajtp2jY6 |
|---|---|
| InChI | InChI=1S/C15H13NS/c1-11-6-8-13(9-7-11)17-15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3 |
| InChIKey | LONMPURNSWQDCS-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 | 3TBzlmNtpYf |
|---|---|
| Name | 2-[(4-Methylphenyl)sulfanyl]-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/c1-11-6-8-13(9-7-11)17-15-10-12-4-2-3-5-14(12)16-15/h2-10,16H,1H3 |
| InChIKey | LONMPURNSWQDCS-UHFFFAOYSA-N |
| Molecular Weight | 239.336 g/mol |
| SMILES | C=1(NC=2C=CC=CC2C1)SC=1C=CC(=CC1)C |