| SpectraBase Spectrum ID |
GXm8HzAiOQU |
| Name |
3,3-Diethyl-4-hydrloxy-1-[(4-methoxyphenyl)sulfonyl]-2-butanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.118794977 u |
| Formula |
C15H22O5S |
| InChI |
InChI=1S/C15H22O5S/c1-4-15(5-2,11-16)14(17)10-21(18,19)13-8-6-12(20-3)7-9-13/h6-9,16H,4-5,10-11H2,1-3H3 |
| InChIKey |
YWMCNWOFXMJWQR-UHFFFAOYSA-N |
| Molecular Weight |
314.396 g/mol |
| SMILES |
C(S(C1=CC=C(C=C1)OC)(=O)=O)C(C(CO)(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858448 |
![3,3-Diethyl-4-hydrloxy-1-[(4-methoxyphenyl)sulfonyl]-2-butanone](/api/spectrum/GXm8HzAiOQU/structure.png?h=300&w=458 "3,3-Diethyl-4-hydrloxy-1-[(4-methoxyphenyl)sulfonyl]-2-butanone")
