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2-[3-(4-Ethylphenyl)-6-oxopyridazin-1-yl]butanedioic acid

View entire compound with spectra: 1 FTIR

2-[3-(4-Ethylphenyl)-6-oxopyridazin-1-yl]butanedioic acid
SpectraBase Compound ID ElIBTKXJCSG
InChI InChI=1S/C16H16N2O5/c1-2-10-3-5-11(6-4-10)12-7-8-14(19)18(17-12)13(16(22)23)9-15(20)21/h3-8,13H,2,9H2,1H3,(H,20,21)(H,22,23)
InChIKey PQVDRHKZDBTZEH-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C16H16N2O5
Exact Mass 316.105922 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EswWrk6aXbX
Name 2-[3-(4-Ethylphenyl)-6-oxopyridazin-1-yl]butanedioic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.105921618 u
Formula C16H16N2O5
InChI InChI=1S/C16H16N2O5/c1-2-10-3-5-11(6-4-10)12-7-8-14(19)18(17-12)13(16(22)23)9-15(20)21/h3-8,13H,2,9H2,1H3,(H,20,21)(H,22,23)
InChIKey PQVDRHKZDBTZEH-UHFFFAOYSA-N
Molecular Weight 316.313 g/mol
SMILES CCC1=CC=C(C2=NN(C(C(O)=O)CC(O)=O)C(C=C2)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937291