N-(3-chloro-2-methylphenyl)-N''-[(E)-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl](oxo)methyl]-N'-(4,6-dimethyl-2-pyrimidinyl)guanidine

SpectraBase Compound ID	AIjtSUzKaCR
InChI	InChI=1S/C25H21Cl3N6O2/c1-12-11-13(2)30-24(29-12)33-25(31-19-10-6-7-16(26)14(19)3)32-23(35)20-15(4)36-34-22(20)21-17(27)8-5-9-18(21)28/h5-11H,1-4H3,(H2,29,30,31,32,33,35)
InChIKey	FEGSADVNOQFGEA-UHFFFAOYSA-N Google Search
Mol Weight	543.84 g/mol
Molecular Formula	C25H21Cl3N6O2
Exact Mass	542.079157 g/mol

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SpectraBase Spectrum ID	A2bchcCg0Bn
Name	N-(3-chloro-2-methylphenyl)-N''-[(E)-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl](oxo)methyl]-N'-(4,6-dimethyl-2-pyrimidinyl)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/C25H21Cl3N6O2/c1-12-11-13(2)30-24(29-12)33-25(31-19-10-6-7-16(26)14(19)3)32-23(35)20-15(4)36-34-22(20)21-17(27)8-5-9-18(21)28/h5-11H,1-4H3,(H2,29,30,31,32,33,35)
InChIKey	FEGSADVNOQFGEA-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_7384
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: 128221; Labnumber: VGU-15223; VK_ID: VK-007388
Synonyms	N-(3-chloro-2-methylphenyl)-N''-[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl](oxo)methyl]-N'-(4,6-dimethyl-2-pyrimidinyl)guanidine
Temperature	318 °C