| SpectraBase Compound ID | 46N98PFzij9 |
|---|---|
| InChI | InChI=1S/C12H15NS2/c1-14-8-12(9-15-2)7-13-11-6-4-3-5-10(11)12/h3-7H,8-9H2,1-2H3 |
| InChIKey | HOXFPGHEVRZKCN-UHFFFAOYSA-N |
| Mol Weight | 237.38 g/mol |
| Molecular Formula | C12H15NS2 |
| Exact Mass | 237.064592 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5fV1nWu1O2M |
|---|---|
| Name | 3,3-bis(Methylthiomethyl)-3H-indole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.064591835 u |
| Formula | C12H15NS2 |
| InChI | InChI=1S/C12H15NS2/c1-14-8-12(9-15-2)7-13-11-6-4-3-5-10(11)12/h3-7H,8-9H2,1-2H3 |
| InChIKey | HOXFPGHEVRZKCN-UHFFFAOYSA-N |
| Molecular Weight | 237.379 g/mol |
| SMILES | C1=NC=2C=CC=CC2C1(CSC)CSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845705 |