| SpectraBase Spectrum ID |
AeHuVXxzyye |
| Name |
2-Butenoic acid, 4-[(4-chloro-2-methyl-phenyl)amino]-4-oxo-, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.034920883 u |
| Formula |
C11H10ClNO3 |
| InChI |
InChI=1S/C11H10ClNO3/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)/b5-4+ |
| InChIKey |
DIZAIWRTXVZYTM-SNAWJCMRSA-N |
| Molecular Weight |
239.658 g/mol |
| SMILES |
N(C1=CC=C(C=C1C)Cl)C(\C=C\C(O)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.744591 |
![2-Butenoic acid, 4-[(4-chloro-2-methyl-phenyl)amino]-4-oxo-, (Z)-](/api/spectrum/AeHuVXxzyye/structure.png?h=300&w=458 "2-Butenoic acid, 4-[(4-chloro-2-methyl-phenyl)amino]-4-oxo-, (Z)-")
