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

*Links on SpectraBase are not permalinks.

1,5-Dihydro-5-(2-oxocyclohexyl)-3,5-diphenyl-4H-pyrazol-4-one 2-oxide

View entire compound with spectra: 1 MS (GC)

1,5-Dihydro-5-(2-oxocyclohexyl)-3,5-diphenyl-4H-pyrazol-4-one 2-oxide
SpectraBase Compound ID KiGc4f6fGeu
InChI InChI=1S/C21H20N2O3/c24-18-14-8-7-13-17(18)21(16-11-5-2-6-12-16)20(25)19(23(26)22-21)15-9-3-1-4-10-15/h1-6,9-12,17,22H,7-8,13-14H2
InChIKey VCJZFHOPHUJEEB-UHFFFAOYSA-N
Mol Weight 348.4 g/mol
Molecular Formula C21H20N2O3
Exact Mass 348.147393 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 9YSe2Xuwj5y
Name 1,5-Dihydro-5-(2-oxocyclohexyl)-3,5-diphenyl-4H-pyrazol-4-one 2-oxide
Alternate Name(s) 5-(2-oxocyclohexyl)-3,5-diphenyl-1,5-dihydro-4H-pyrazol-4-one 2-oxide
CAS Registry Number 71964-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O3
InChI InChI=1S/C21H20N2O3/c24-18-14-8-7-13-17(18)21(16-11-5-2-6-12-16)20(25)19(23(26)22-21)15-9-3-1-4-10-15/h1-6,9-12,17,22H,7-8,13-14H2
InChIKey VCJZFHOPHUJEEB-UHFFFAOYSA-N
Molecular Weight 348.402 g/mol
SMILES N1[N+](=C(C(C1(C1C(=O)CCCC1)c1ccccc1)=O)c1ccccc1)[O-]
SPLASH splash10-0ap0-0940000000-f3c8f5983fb24e69519c
Source of Spectrum J-44-4979-0
Wiley ID 1340771