| SpectraBase Spectrum ID |
AxByAbtRcHq |
| Name |
(E)-4-[(4-Methylphenyl)sulfonyl-(2-oxopropyl)amino]-2-butenoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.098393885 u |
| Formula |
C15H19NO5S |
| InChI |
InChI=1S/C15H19NO5S/c1-12-6-8-14(9-7-12)22(19,20)16(11-13(2)17)10-4-5-15(18)21-3/h4-9H,10-11H2,1-3H3/b5-4+ |
| InChIKey |
FXIKKNJZJVKBPW-SNAWJCMRSA-N |
| Molecular Weight |
325.379 g/mol |
| SMILES |
C(N(S(C1=CC=C(C=C1)C)(=O)=O)C\C=C\C(=O)OC)C(=O)C |
![(E)-4-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]-2-butenoic acid methyl ester](/api/spectrum/AxByAbtRcHq/structure.png?h=300&w=458 "(E)-4-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]-2-butenoic acid methyl ester")
