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4,4-Diphenyl-1-(3-pyridinyl)but-1,3-diene-2-carboxylic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4,4-Diphenyl-1-(3-pyridinyl)but-1,3-diene-2-carboxylic acid
SpectraBase Compound ID GjFEINkBaGu
InChI InChI=1S/C22H17NO2/c24-22(25)20(14-17-8-7-13-23-16-17)15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H,(H,24,25)/b20-14-
InChIKey SAYZPNQIQZUYRB-ZHZULCJRSA-N
Mol Weight 327.38 g/mol
Molecular Formula C22H17NO2
Exact Mass 327.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EuspyHXc16e
Name 4,4-Diphenyl-1-(3-pyridinyl)but-1,3-diene-2-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.125928789 u
Formula C22H17NO2
InChI InChI=1S/C22H17NO2/c24-22(25)20(14-17-8-7-13-23-16-17)15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H,(H,24,25)/b20-14-
InChIKey SAYZPNQIQZUYRB-ZHZULCJRSA-N
Molecular Weight 327.383 g/mol
SMILES C(\C(C(=O)O)=C\C=1C=NC=CC1)=C(C1=CC=CC=C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93309