SpectraBase Spectrum ID |
LC7nWzPFQ1c |
Name |
2-(6-oxo-3-Phenylpyridazin-1-yl)butanedioic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
288.074621489 u |
Formula |
C14H12N2O5 |
InChI |
InChI=1S/C14H12N2O5/c17-12-7-6-10(9-4-2-1-3-5-9)15-16(12)11(14(20)21)8-13(18)19/h1-7,11H,8H2,(H,18,19)(H,20,21) |
InChIKey |
XWPJTICCDXXNPI-UHFFFAOYSA-N |
SMILES |
C1=CC=C(C=C1)C1=NN(C(C(O)=O)CC(=O)O)C(C=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971839 |