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

*Links on SpectraBase are not permalinks.
(3-(4-(tert-Butyl)phenyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1,5- diyl)bis(phenylmethanone)
SpectraBase Compound ID UT73Xn8Nr6
InChI InChI=1S/C27H26N2O3/c1-26(2,3)22-16-14-19(15-17-22)23-18-27(32,24(30)20-10-6-4-7-11-20)29(28-23)25(31)21-12-8-5-9-13-21/h4-17,32H,18H2,1-3H3
InChIKey YZZXSFLNLYHHAC-UHFFFAOYSA-N
Mol Weight 426.52 g/mol
Molecular Formula C27H26N2O3
Exact Mass 426.194343 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 9Hpbh0Qa3AK
Name (3-(4-(tert-Butyl)phenyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1,5- diyl)bis(phenylmethanone)
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26N2O3
InChI InChI=1S/C27H26N2O3/c1-26(2,3)22-16-14-19(15-17-22)23-18-27(32,24(30)20-10-6-4-7-11-20)29(28-23)25(31)21-12-8-5-9-13-21/h4-17,32H,18H2,1-3H3
InChIKey YZZXSFLNLYHHAC-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.136
Molecular Weight 426.516 g/mol
SMILES OC1(C(c2ccccc2)=O)N(N=C(C1)c1ccc(cc1)C(C)(C)C)C(=O)c1ccccc1
SPLASH splash10-0ab9-3927000000-2e1177a14373b4e448e8
Source of Spectrum BJO-15-SM16-5m
Thin-Layer Chromatography Rf = 0.18 (petroleum ether/ethyl acetate, 7:1)
Wiley ID 1840935