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

*Links on SpectraBase are not permalinks.
4,4'-(3-Oxo-2,4-diphenylpentane-1,5-diyl)bis(3-methyl-1-phenyl-1H-pyrazol-5(4H)-one)
SpectraBase Compound ID 579X0dcjxww
InChI InChI=1S/C37H34N4O3/c1-25-31(36(43)40(38-25)29-19-11-5-12-20-29)23-33(27-15-7-3-8-16-27)35(42)34(28-17-9-4-10-18-28)24-32-26(2)39-41(37(32)44)30-21-13-6-14-22-30/h3-22,31-34H,23-24H2,1-2H3
InChIKey GUQDHRGKMLDQFA-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C37H34N4O3
Exact Mass 582.263091 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 55ZeRzFJxIX
Name 4,4'-(3-Oxo-2,4-diphenylpentane-1,5-diyl)bis(3-methyl-1-phenyl-1H-pyrazol-5(4H)-one)
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H34N4O3
InChI InChI=1S/C37H34N4O3/c1-25-31(36(43)40(38-25)29-19-11-5-12-20-29)23-33(27-15-7-3-8-16-27)35(42)34(28-17-9-4-10-18-28)24-32-26(2)39-41(37(32)44)30-21-13-6-14-22-30/h3-22,31-34H,23-24H2,1-2H3
InChIKey GUQDHRGKMLDQFA-UHFFFAOYSA-N
Instrument Name GC-MS QP-1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3055
Molecular Weight 582.704 g/mol
SMILES C(C(C(CC1C(=NN(C1=O)c1ccccc1)C)c1ccccc1)=O)(CC1C(N(N=C1C)c1ccccc1)=O)c1ccccc1
SPLASH splash10-0a4i-9100000000-2d925c1bb95ff6d12e2f
Source of Spectrum Y-55-333-26
Wiley ID 1878812