| SpectraBase Spectrum ID |
EzQpEFfYaRX |
| Name |
3,3-Dimethyl-1-(p-tolylsulfonyl)-2-butanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.097665611 u |
| Formula |
C13H18O3S |
| InChI |
InChI=1S/C13H18O3S/c1-10-5-7-11(8-6-10)17(15,16)9-12(14)13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey |
HQISUXUFXCVRIR-UHFFFAOYSA-N |
| Molecular Weight |
254.344 g/mol |
| SMILES |
C=1C(=CC=C(C1)C)S(=O)(=O)CC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.919192 |
