(1E)-1-phenylethanone O-{[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}oxime

SpectraBase Compound ID	3NcxZpltmlL
InChI	InChI=1S/C22H14ClF3N4O2/c1-13(14-5-3-2-4-6-14)29-32-21(31)18-12-20-27-17(15-7-9-16(23)10-8-15)11-19(22(24,25)26)30(20)28-18/h2-12H,1H3/b29-13+
InChIKey	AEEYKXXINBLMIW-VFLNYLIXSA-N Google Search
Mol Weight	458.83 g/mol
Molecular Formula	C22H14ClF3N4O2
Exact Mass	458.075738 g/mol

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SpectraBase Spectrum ID	JuVxMgBnInk
Name	(1E)-1-phenylethanone O-{[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}oxime
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C22H14ClF3N4O2/c1-13(14-5-3-2-4-6-14)29-32-21(31)18-12-20-27-17(15-7-9-16(23)10-8-15)11-19(22(24,25)26)30(20)28-18/h2-12H,1H3/b29-13+
InChIKey	AEEYKXXINBLMIW-VFLNYLIXSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_20645
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/9311352; UBI_ID: UBI-020649
Synonyms	1-phenylethanone O-{[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}oxime
Temperature	313 °C