| SpectraBase Spectrum ID |
GsqMxVUYba0 |
| Name |
4-Methyl-1-(phenylsulfonyl)-5-hexen-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.082015546 u |
| Formula |
C13H16O3S |
| InChI |
InChI=1S/C13H16O3S/c1-3-11(2)9-12(14)10-17(15,16)13-7-5-4-6-8-13/h3-8,11H,1,9-10H2,2H3 |
| InChIKey |
AYAKYCZKTONIBL-UHFFFAOYSA-N |
| Molecular Weight |
252.328 g/mol |
| SMILES |
C(S(=O)(=O)C=1C=CC=CC1)C(=O)CC(C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938789 |
