2-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-6-isopropyl-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one

SpectraBase Compound ID	5jCZWHtWH9A
InChI	InChI=1S/C23H22ClFN2O3S/c1-12(2)20-10-16-22(28)26-21(27-23(16)31-20)13-4-7-19(29-3)14(8-13)11-30-15-5-6-18(25)17(24)9-15/h4-10,12,21,27H,11H2,1-3H3,(H,26,28)
InChIKey	YREMNMLRDQBVSZ-UHFFFAOYSA-N Google Search
Mol Weight	460.95 g/mol
Molecular Formula	C23H22ClFN2O3S
Exact Mass	460.10237 g/mol

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SpectraBase Spectrum ID	1YBgbTBtDD5
Name	2-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-6-isopropyl-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-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/C23H22ClFN2O3S/c1-12(2)20-10-16-22(28)26-21(27-23(16)31-20)13-4-7-19(29-3)14(8-13)11-30-15-5-6-18(25)17(24)9-15/h4-10,12,21,27H,11H2,1-3H3,(H,26,28)
InChIKey	YREMNMLRDQBVSZ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29600
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: 1011318; SBI_ID: SBI-029604
Temperature	308 °C