| SpectraBase Spectrum ID |
JNaEMvKn5qX |
| Name |
Hexa-2,4-dienoic acid, 2-cyano-3,4-dihydroxy-6-oxo-6-phenyl-, amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.064056806 u |
| Formula |
C13H10N2O4 |
| InChI |
InChI=1S/C13H10N2O4/c14-7-9(13(15)19)12(18)11(17)6-10(16)8-4-2-1-3-5-8/h1-6,17-18H,(H2,15,19)/b11-6-,12-9- |
| InChIKey |
TZBPEZWVMJDXGV-WMKSJQGLSA-N |
| Molecular Weight |
258.233 g/mol |
| SMILES |
C1=C(C=CC=C1)C(\C=C\(\C(=C\(C(N)=O)C#N)O)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915706 |
