3-[(4-oxo-1,4-dihydro-2-quinazolinyl)sulfanyl]propanoic acid

SpectraBase Compound ID	LuKezl5Eaex
InChI	InChI=1S/C11H10N2O3S/c14-9(15)5-6-17-11-12-8-4-2-1-3-7(8)10(16)13-11/h1-4H,5-6H2,(H,14,15)(H,12,13,16)
InChIKey	JXTBIXJKHMVXHE-UHFFFAOYSA-N Google Search
Mol Weight	250.27 g/mol
Molecular Formula	C11H10N2O3S
Exact Mass	250.041213 g/mol

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SpectraBase Spectrum ID	CqQk55KKM1C
Name	3-[(4-oxo-1,4-dihydro-2-quinazolinyl)sulfanyl]propanoic acid
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/C11H10N2O3S/c14-9(15)5-6-17-11-12-8-4-2-1-3-7(8)10(16)13-11/h1-4H,5-6H2,(H,14,15)(H,12,13,16)
InChIKey	JXTBIXJKHMVXHE-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_8500
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: E12603; Labnumber: RUDRSB-0027; SBI_ID: SBI-008503
Temperature	318 °C