N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(E)-oxo(phenyl)methyl]guanidine

SpectraBase Compound ID	mO4ungyAfS
InChI	InChI=1S/C21H17ClF3N5O/c1-12-10-13(2)27-19(26-12)30-20(29-18(31)14-6-4-3-5-7-14)28-17-11-15(21(23,24)25)8-9-16(17)22/h3-11H,1-2H3,(H2,26,27,28,29,30,31)
InChIKey	NCIMNZMGIASSGZ-UHFFFAOYSA-N Google Search
Mol Weight	447.85 g/mol
Molecular Formula	C21H17ClF3N5O
Exact Mass	447.107372 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	5pSDGtkEq3A
Name	N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(E)-oxo(phenyl)methyl]guanidine
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/C21H17ClF3N5O/c1-12-10-13(2)27-19(26-12)30-20(29-18(31)14-6-4-3-5-7-14)28-17-11-15(21(23,24)25)8-9-16(17)22/h3-11H,1-2H3,(H2,26,27,28,29,30,31)
InChIKey	NCIMNZMGIASSGZ-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5811
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: 123019; Labnumber: VGU-14922; VK_ID: VK-005814
Synonyms	N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[oxo(phenyl)methyl]guanidine
Temperature	308 °C