| SpectraBase Spectrum ID |
Ao3We1AaFUU |
| Name |
(E)-3-Methyl-4-sulfonyl-but-3-en-2-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/c1-9(10(2)12)8-15(13,14)11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+ |
| InChIKey |
USEXONBUPHCPQG-CMDGGOBGSA-N |
| Molecular Weight |
224.274 g/mol |
| SMILES |
CC(=O)\C(C)=C\S(=O)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947816 |
