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

*Links on SpectraBase are not permalinks.

Pentane-1,5-dione, 3-(1,5-dimethyl-1H-pyrazol-4-yl)-1,5-diphenyl-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Pentane-1,5-dione, 3-(1,5-dimethyl-1H-pyrazol-4-yl)-1,5-diphenyl-
SpectraBase Compound ID 6jaE7sLLaJ9
InChI InChI=1S/C22H22N2O2/c1-16-20(15-23-24(16)2)19(13-21(25)17-9-5-3-6-10-17)14-22(26)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3
InChIKey ORVHSIFXRLUOQU-UHFFFAOYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C22H22N2O2
Exact Mass 346.168128 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 9lWvFYmrBhJ
Name Pentane-1,5-dione, 3-(1,5-dimethyl-1H-pyrazol-4-yl)-1,5-diphenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.168127954 u
Formula C22H22N2O2
InChI InChI=1S/C22H22N2O2/c1-16-20(15-23-24(16)2)19(13-21(25)17-9-5-3-6-10-17)14-22(26)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3
InChIKey ORVHSIFXRLUOQU-UHFFFAOYSA-N
Molecular Weight 346.430 g/mol
SMILES C(CC(C1=CC=CC=C1)=O)(CC(C1=CC=CC=C1)=O)C=1C=NN(C1C)C