![Benzene, [[1-[[(methylsulfonyl)methyl]thio]ethyl]thio]-](/api/spectrum/1ILn9xVJ8vt/structure.png?h=300&w=458 "Benzene, [[1-[[(methylsulfonyl)methyl]thio]ethyl]thio]-")
| SpectraBase Compound ID | 70hKphgeoaY |
|---|---|
| InChI | InChI=1S/C10H14O2S3/c1-9(13-8-15(2,11)12)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | RXXVEFGJJYBNFO-UHFFFAOYSA-N |
| Mol Weight | 262.4 g/mol |
| Molecular Formula | C10H14O2S3 |
| Exact Mass | 262.015593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1ILn9xVJ8vt |
|---|---|
| Name | Benzene, [[1-[[(methylsulfonyl)methyl]thio]ethyl]thio]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.015593211 u |
| Formula | C10H14O2S3 |
| InChI | InChI=1S/C10H14O2S3/c1-9(13-8-15(2,11)12)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | RXXVEFGJJYBNFO-UHFFFAOYSA-N |
| SMILES | C(S(=O)(=O)C)SC(SC1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872714 |