1-piperidinecarboxylic acid, 4-(2-[[(2,5-difluorophenyl)methyl]thio]-4-oxo-3(4H)-quinazolinyl)-, ethyl ester

SpectraBase Compound ID	EseTXQ1WThn
InChI	InChI=1S/C23H23F2N3O3S/c1-2-31-23(30)27-11-9-17(10-12-27)28-21(29)18-5-3-4-6-20(18)26-22(28)32-14-15-13-16(24)7-8-19(15)25/h3-8,13,17H,2,9-12,14H2,1H3
InChIKey	JJNZARCTZVMGKH-UHFFFAOYSA-N Google Search
Mol Weight	459.51 g/mol
Molecular Formula	C23H23F2N3O3S
Exact Mass	459.142819 g/mol

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SpectraBase Spectrum ID	4i9Ml5aUQu9
Name	1-piperidinecarboxylic acid, 4-(2-[[(2,5-difluorophenyl)methyl]thio]-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
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/C23H23F2N3O3S/c1-2-31-23(30)27-11-9-17(10-12-27)28-21(29)18-5-3-4-6-20(18)26-22(28)32-14-15-13-16(24)7-8-19(15)25/h3-8,13,17H,2,9-12,14H2,1H3
InChIKey	JJNZARCTZVMGKH-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_7013
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: NMR/10328217