| SpectraBase Spectrum ID |
Fo4CNhSqDNH |
| Name |
(E)-1-(Benzenesulfonyl)-1-penten-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.050715417 u |
| Formula |
C11H12O3S |
| InChI |
InChI=1S/C11H12O3S/c1-2-10(12)8-9-15(13,14)11-6-4-3-5-7-11/h3-9H,2H2,1H3/b9-8+ |
| InChIKey |
KVSBXKOPLINSSB-CMDGGOBGSA-N |
| Molecular Weight |
224.274 g/mol |
| SMILES |
C(\C=C\S(=O)(=O)C=1C=CC=CC1)(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935839 |
