(6Z)-6-{4-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SpectraBase Compound ID	5DiiNQyTDDH
InChI	InChI=1S/C27H30N4O3S/c1-5-20(6-2)26-30-31-24(28)23(25(32)29-27(31)35-26)16-19-8-11-21(12-9-19)33-13-14-34-22-10-7-17(3)18(4)15-22/h7-12,15-16,20,28H,5-6,13-14H2,1-4H3/b23-16-,28-24?
InChIKey	LRTCALRIUDGVGK-CLKZTBQTSA-N Google Search
Mol Weight	490.62 g/mol
Molecular Formula	C27H30N4O3S
Exact Mass	490.203862 g/mol

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SpectraBase Spectrum ID	8Wg05wpvOT8
Name	(6Z)-6-{4-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C27H30N4O3S/c1-5-20(6-2)26-30-31-24(28)23(25(32)29-27(31)35-26)16-19-8-11-21(12-9-19)33-13-14-34-22-10-7-17(3)18(4)15-22/h7-12,15-16,20,28H,5-6,13-14H2,1-4H3/b23-16-,28-24?
InChIKey	LRTCALRIUDGVGK-CLKZTBQTSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25836
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: D61655; Labnumber: CEP4-3620; SBI_ID: SBI-025840
Synonyms	6-{4-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene}-2-(1-ethylpropyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature	318 °C