![Benzene, [(1-phenylcyclopropyl)sulfonyl]-](/api/spectrum/EmCrK7k5VE3/structure.png?h=300&w=458 "Benzene, [(1-phenylcyclopropyl)sulfonyl]-")
| SpectraBase Compound ID | 8WwFC6ZwOAo |
|---|---|
| InChI | InChI=1S/C15H14O2S/c16-18(17,14-9-5-2-6-10-14)15(11-12-15)13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey | TWGYQTALYXDFES-UHFFFAOYSA-N |
| Mol Weight | 258.33 g/mol |
| Molecular Formula | C15H14O2S |
| Exact Mass | 258.071451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EmCrK7k5VE3 |
|---|---|
| Name | Benzene, [(1-phenylcyclopropyl)sulfonyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.071450863 u |
| Formula | C15H14O2S |
| InChI | InChI=1S/C15H14O2S/c16-18(17,14-9-5-2-6-10-14)15(11-12-15)13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey | TWGYQTALYXDFES-UHFFFAOYSA-N |
| SMILES | C1(S(=O)(=O)C=2C=CC=CC2)(CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896023 |