| SpectraBase Compound ID | IHSIntncuBz |
|---|---|
| InChI | InChI=1S/C10H12O3S/c1-2-9(11)8-14(12,13)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3 |
| InChIKey | SMYSSDAIMUTBFY-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 | gro4AOC9LR |
|---|---|
| Name | 1-(Benzenesulfonyl)-2-butanone |
| 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/c1-2-9(11)8-14(12,13)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3 |
| InChIKey | SMYSSDAIMUTBFY-UHFFFAOYSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C(S(=O)(=O)C1=CC=CC=C1)C(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960398 |