benzoic acid, 4-[[[(1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl)thio]acetyl]amino]-, ethyl ester

SpectraBase Compound ID	AaY4JpZiHzn
InChI	InChI=1S/C16H17N3O4S/c1-3-23-15(22)11-4-6-12(7-5-11)18-14(21)9-24-16-17-10(2)8-13(20)19-16/h4-8H,3,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKey	MPTMBWCEQLUCHP-UHFFFAOYSA-N Google Search
Mol Weight	347.39 g/mol
Molecular Formula	C16H17N3O4S
Exact Mass	347.093977 g/mol

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SpectraBase Spectrum ID	9dPJ2VcfcSM
Name	benzoic acid, 4-[[[(1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl)thio]acetyl]amino]-, 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/C16H17N3O4S/c1-3-23-15(22)11-4-6-12(7-5-11)18-14(21)9-24-16-17-10(2)8-13(20)19-16/h4-8H,3,9H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKey	MPTMBWCEQLUCHP-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_1070
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/11228849