| SpectraBase Spectrum ID |
kCEANiEC4e |
| Name |
p-{[(3-methoxy-5-oxo-2(5H)-thienylidene)methyl]amino}benzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.040879008 u |
| Formula |
C13H11NO4S |
| InChI |
InChI=1S/C13H11NO4S/c1-18-10-6-12(15)19-11(10)7-14-9-4-2-8(3-5-9)13(16)17/h2-7,14H,1H3,(H,16,17) |
| InChIKey |
WNZIBEFEXQSQAE-UHFFFAOYSA-N |
| Molecular Weight |
277.294 g/mol |
| SMILES |
N(C=C1C(=CC(S1)=O)OC)C1=CC=C(C(=O)O)C=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.939719 |
![p-{[(3-methoxy-5-oxo-2(5H)-thienylidene)methyl]amino}benzoic acid](/api/spectrum/kCEANiEC4e/structure.png?h=300&w=458 "p-{[(3-methoxy-5-oxo-2(5H)-thienylidene)methyl]amino}benzoic acid")
