| SpectraBase Compound ID | nFgnFqP8UZ |
|---|---|
| InChI | InChI=1S/C12H14ClNS2/c1-15-7-12(8-16-2)6-14-11-4-3-9(13)5-10(11)12/h3-6H,7-8H2,1-2H3 |
| InChIKey | MFCAYICKWPLLSE-UHFFFAOYSA-N |
| Mol Weight | 271.82 g/mol |
| Molecular Formula | C12H14ClNS2 |
| Exact Mass | 271.02562 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JGI6P0Ss3rg |
|---|---|
| Name | 5-Chloranyl-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 | 271.025619503 u |
| Formula | C12H14ClNS2 |
| InChI | InChI=1S/C12H14ClNS2/c1-15-7-12(8-16-2)6-14-11-4-3-9(13)5-10(11)12/h3-6H,7-8H2,1-2H3 |
| InChIKey | MFCAYICKWPLLSE-UHFFFAOYSA-N |
| SMILES | C1(C2=C(C=CC(=C2)Cl)N=C1)(CSC)CSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81665 |