(5E)-1-(4-chlorophenyl)-5-[(octylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	9ioEGuTehuD
InChI	InChI=1S/C19H24ClN3O3/c1-2-3-4-5-6-7-12-21-13-16-17(24)22-19(26)23(18(16)25)15-10-8-14(20)9-11-15/h8-11,13,21H,2-7,12H2,1H3,(H,22,24,26)/b16-13+
InChIKey	DBXXIMZHBOUMSC-DTQAZKPQSA-N Google Search
Mol Weight	377.87 g/mol
Molecular Formula	C19H24ClN3O3
Exact Mass	377.150619 g/mol

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SpectraBase Spectrum ID	K0HiEF0wrUb
Name	(5E)-1-(4-chlorophenyl)-5-[(octylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C19H24ClN3O3/c1-2-3-4-5-6-7-12-21-13-16-17(24)22-19(26)23(18(16)25)15-10-8-14(20)9-11-15/h8-11,13,21H,2-7,12H2,1H3,(H,22,24,26)/b16-13+
InChIKey	DBXXIMZHBOUMSC-DTQAZKPQSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3762
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: D93813; Labnumber: KV-2587; SBI_ID: SBI-003764
Synonyms	1-(4-chlorophenyl)-5-[(octylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	315 °C