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2-(6-oxo-3-Phenylpyridazin-1-yl)butanedioic acid
SpectraBase Compound ID 7mpoyB33Nrh
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
Mol Weight 288.26 g/mol
Molecular Formula C14H12N2O5
Exact Mass 288.074621 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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