N-(3-chloro-4-fluorophenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(E)-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoyl]guanidine

SpectraBase Compound ID	G5S72xmPvPT
InChI	InChI=1S/C30H30ClFN6O3/c1-17-14-18(2)34-29(33-17)37-30(35-20-12-13-24(32)23(31)16-20)36-26(39)25(15-19-8-4-3-5-9-19)38-27(40)21-10-6-7-11-22(21)28(38)41/h3-5,8-9,12-14,16,21-22,25H,6-7,10-11,15H2,1-2H3,(H2,33,34,35,36,37,39)
InChIKey	KRJCAEGTKWPYPW-UHFFFAOYSA-N Google Search
Mol Weight	577.06 g/mol
Molecular Formula	C30H30ClFN6O3
Exact Mass	576.205195 g/mol

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SpectraBase Spectrum ID	Bbye2h0yP8D
Name	N-(3-chloro-4-fluorophenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[(E)-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoyl]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/C30H30ClFN6O3/c1-17-14-18(2)34-29(33-17)37-30(35-20-12-13-24(32)23(31)16-20)36-26(39)25(15-19-8-4-3-5-9-19)38-27(40)21-10-6-7-11-22(21)28(38)41/h3-5,8-9,12-14,16,21-22,25H,6-7,10-11,15H2,1-2H3,(H2,33,34,35,36,37,39)
InChIKey	KRJCAEGTKWPYPW-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_7021
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: D27349; Labnumber: VGU-18577; SBI_ID: SBI-007024
Synonyms	N-(3-chloro-4-fluorophenyl)-N'-(4,6-dimethyl-2-pyrimidinyl)-N''-[2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoyl]guanidine
Temperature	315 °C