For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

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

4-Phenyl-4-(4-chlorophenyl)-1-(3-pyridinyl)but-1,3-diene-2-carboxylic acid
SpectraBase Compound ID FfeGHDTIP9
InChI InChI=1S/C22H16ClNO2/c23-20-10-8-18(9-11-20)21(17-6-2-1-3-7-17)14-19(22(25)26)13-16-5-4-12-24-15-16/h1-15H,(H,25,26)/b19-13-,21-14-
InChIKey GFIKEKMYLNELMC-XKIZZEDSSA-N
Mol Weight 361.83 g/mol
Molecular Formula C22H16ClNO2
Exact Mass 361.086956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4hznu7ypUWu
Name 4-Phenyl-4-(4-chlorophenyl)-1-(3-pyridinyl)but-1,3-diene-2-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.086956457 u
Formula C22H16ClNO2
InChI InChI=1S/C22H16ClNO2/c23-20-10-8-18(9-11-20)21(17-6-2-1-3-7-17)14-19(22(25)26)13-16-5-4-12-24-15-16/h1-15H,(H,25,26)/b19-13-,21-14-
InChIKey GFIKEKMYLNELMC-XKIZZEDSSA-N
Molecular Weight 361.828 g/mol
SMILES C(\C(\C=C/(C1=CC=C(C=C1)Cl)C=1C=CC=CC1)=C\C=1C=NC=CC1)(=O)O