| SpectraBase Compound ID | 5KKdSQ6zTYi |
|---|---|
| InChI | InChI=1S/C10H12O3S/c1-9(11)7-14(12,13)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | JZGXSTFDSZFGMC-UHFFFAOYSA-N |
| Mol Weight | 212.26 g/mol |
| Molecular Formula | C10H12O3S |
| Exact Mass | 212.050715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6bQkTMNQcNr |
|---|---|
| Name | 1-(Phenylmethyl)sulfonyl-2-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.050715417 u |
| Formula | C10H12O3S |
| InChI | InChI=1S/C10H12O3S/c1-9(11)7-14(12,13)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | JZGXSTFDSZFGMC-UHFFFAOYSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C(S(=O)(=O)CC=1C=CC=CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968249 |