| SpectraBase Compound ID | 7txrkv5fx5X |
|---|---|
| InChI | InChI=1S/C21H17NS/c1-3-9-16(10-4-1)15-23-21-18-13-7-8-14-19(18)22-20(21)17-11-5-2-6-12-17/h1-14,22H,15H2 |
| InChIKey | LVAIEVCBHUJDPT-UHFFFAOYSA-N |
| Mol Weight | 315.43 g/mol |
| Molecular Formula | C21H17NS |
| Exact Mass | 315.108171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3Cw2xexOeRK |
|---|---|
| Name | 2-Phenyl-3-(.alpha.-toluenesulfanyl)indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.108170725 u |
| Formula | C21H17NS |
| InChI | InChI=1S/C21H17NS/c1-3-9-16(10-4-1)15-23-21-18-13-7-8-14-19(18)22-20(21)17-11-5-2-6-12-17/h1-14,22H,15H2 |
| InChIKey | LVAIEVCBHUJDPT-UHFFFAOYSA-N |
| SMILES | C1(=C(NC=2C1=CC=CC2)C=1C=CC=CC1)SCC1=CC=CC=C1 |