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

*Links on SpectraBase are not permalinks.

2-Benzoyl-3,5-diphenyl-1-(2'-pyrimidyl)pyrrole

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

2-Benzoyl-3,5-diphenyl-1-(2'-pyrimidyl)pyrrole
SpectraBase Compound ID 3CHigGFaCzf
InChI InChI=1S/C27H19N3O/c31-26(22-15-8-3-9-16-22)25-23(20-11-4-1-5-12-20)19-24(21-13-6-2-7-14-21)30(25)27-28-17-10-18-29-27/h1-19H
InChIKey MZYHUHXOESVQCV-UHFFFAOYSA-N
Mol Weight 401.47 g/mol
Molecular Formula C27H19N3O
Exact Mass 401.152812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID AS2BS4gr00c
Name 2-Benzoyl-3,5-diphenyl-1-(2'-pyrimidyl)pyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.152812243 u
Formula C27H19N3O
InChI InChI=1S/C27H19N3O/c31-26(22-15-8-3-9-16-22)25-23(20-11-4-1-5-12-20)19-24(21-13-6-2-7-14-21)30(25)27-28-17-10-18-29-27/h1-19H
InChIKey MZYHUHXOESVQCV-UHFFFAOYSA-N
Molecular Weight 401.469 g/mol
SMILES C=1(N(C(=CC1C=1C=CC=CC1)C=1C=CC=CC1)C=1N=CC=CN1)C(C=1C=CC=CC1)=O