| SpectraBase Compound ID | 4vszupQl4sg |
|---|---|
| InChI | InChI=1S/C15H14O3S/c1-12(16)10-13-6-5-9-15(11-13)19(17,18)14-7-3-2-4-8-14/h2-9,11H,10H2,1H3 |
| InChIKey | QAXULIGFAOJCHY-UHFFFAOYSA-N |
| Mol Weight | 274.33 g/mol |
| Molecular Formula | C15H14O3S |
| Exact Mass | 274.066365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GXN1RGZqFfF |
|---|---|
| Name | 1-(2-Oxopropyl)-3-(phenylsulfonyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.066365482 u |
| Formula | C15H14O3S |
| InChI | InChI=1S/C15H14O3S/c1-12(16)10-13-6-5-9-15(11-13)19(17,18)14-7-3-2-4-8-14/h2-9,11H,10H2,1H3 |
| InChIKey | QAXULIGFAOJCHY-UHFFFAOYSA-N |
| SMILES | C1(S(=O)(=O)C2=CC=CC=C2)=CC(CC(=O)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915135 |