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

*Links on SpectraBase are not permalinks.
1-(5-Benzoyl-5-hydroxy-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butan-1-one
SpectraBase Compound ID 6shn06HbjFE
InChI InChI=1S/C20H20N2O3/c1-2-9-18(23)22-20(25,19(24)16-12-7-4-8-13-16)14-17(21-22)15-10-5-3-6-11-15/h3-8,10-13,25H,2,9,14H2,1H3
InChIKey GIZJFSBPNYWOMF-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C20H20N2O3
Exact Mass 336.147393 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 DPtclQ6wZHN
Name 1-(5-Benzoyl-5-hydroxy-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butan-1-one
Appearance Light orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O3
InChI InChI=1S/C20H20N2O3/c1-2-9-18(23)22-20(25,19(24)16-12-7-4-8-13-16)14-17(21-22)15-10-5-3-6-11-15/h3-8,10-13,25H,2,9,14H2,1H3
InChIKey GIZJFSBPNYWOMF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.136
Molecular Weight 336.391 g/mol
SMILES OC1(N(N=C(C1)c1ccccc1)C(=O)CCC)C(c1ccccc1)=O
SPLASH splash10-03di-0930000000-10ddb9dd0aa0d0c3c628
Source of Spectrum BJO-15-SM15-5k
Thin-Layer Chromatography Rf = 0.15 (petroleum ether/ethyl acetate, 7:1)
Wiley ID 1840933