| SpectraBase Spectrum ID |
FfP9XH8P98w |
| Name |
2-Methyl-3,3-bis(methylsulfanylmethyl)indole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.080241899 u |
| Formula |
C13H17NS2 |
| InChI |
InChI=1S/C13H17NS2/c1-10-13(8-15-2,9-16-3)11-6-4-5-7-12(11)14-10/h4-7H,8-9H2,1-3H3 |
| InChIKey |
IBZAFRFTOJFRNU-UHFFFAOYSA-N |
| Molecular Weight |
251.406 g/mol |
| SMILES |
C1(=NC=2C=CC=CC2C1(CSC)CSC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897182 |
