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

*Links on SpectraBase are not permalinks.
2-[2-(4-hydroxy-5-keto-1,2-diphenyl-3-pyrrolin-3-yl)ethyl]benzoic acid
SpectraBase Compound ID 7egb7y9IUiE
InChI InChI=1S/C25H21NO4/c27-23-21(16-15-17-9-7-8-14-20(17)25(29)30)22(18-10-3-1-4-11-18)26(24(23)28)19-12-5-2-6-13-19/h1-14,22,27H,15-16H2,(H,29,30)
InChIKey VHUVEJQSJFOCKT-UHFFFAOYSA-N
Mol Weight 399.45 g/mol
Molecular Formula C25H21NO4
Exact Mass 399.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JjNhYZchoSi
Name 2-[2-(4-hydroxy-5-keto-1,2-diphenyl-3-pyrrolin-3-yl)ethyl]benzoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21NO4
InChI InChI=1S/C25H21NO4/c27-23-21(16-15-17-9-7-8-14-20(17)25(29)30)22(18-10-3-1-4-11-18)26(24(23)28)19-12-5-2-6-13-19/h1-14,22,27H,15-16H2,(H,29,30)
InChIKey VHUVEJQSJFOCKT-UHFFFAOYSA-N
Molecular Weight 399.446 g/mol
SMILES OC=1C(N(C(C1CCc1c(C(=O)O)cccc1)c1ccccc1)c1ccccc1)=O
SPLASH splash10-004i-9300000000-6bb258944fc1a810eeb9
Source of Spectrum Y-35-616-16
Synonyms 2-[2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)ethyl]benzoic acid 2-[2-(4-oxidanyl-5-oxidanylidene-1,2-diphenyl-2H-pyrrol-3-yl)ethyl]benzoic acid
Wiley ID 1369090