| SpectraBase Spectrum ID |
KetB5U8W3Hr |
| Name |
2-Butenoic acid, 3-[(4-methylphenyl)sulfonyl]-, methyl ester, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.061280101 u |
| Formula |
C12H14O4S |
| InChI |
InChI=1S/C12H14O4S/c1-9-4-6-11(7-5-9)17(14,15)10(2)8-12(13)16-3/h4-8H,1-3H3/b10-8+ |
| InChIKey |
WVCOPWDQUZSRPQ-CSKARUKUSA-N |
| Molecular Weight |
254.300 g/mol |
| SMILES |
C(\C=C/(S(C=1C=CC(=CC1)C)(=O)=O)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965708 |
![2-Butenoic acid, 3-[(4-methylphenyl)sulfonyl]-, methyl ester, (E)-](/api/spectrum/KetB5U8W3Hr/structure.png?h=300&w=458 "2-Butenoic acid, 3-[(4-methylphenyl)sulfonyl]-, methyl ester, (E)-")
