benzoic acid, 4-[[[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl]amino]-, methyl ester

SpectraBase Compound ID	JaqFoqf5jXz
InChI	InChI=1S/C16H17N3O3S/c1-10-8-11(2)18-16(17-10)23-9-14(20)19-13-6-4-12(5-7-13)15(21)22-3/h4-8H,9H2,1-3H3,(H,19,20)
InChIKey	XFDGBATZPBCUIN-UHFFFAOYSA-N Google Search
Mol Weight	331.39 g/mol
Molecular Formula	C16H17N3O3S
Exact Mass	331.099063 g/mol

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SpectraBase Spectrum ID	Ih5SCnCbpNW
Name	methyl 4-({[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}amino)benzoate
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/C16H17N3O3S/c1-10-8-11(2)18-16(17-10)23-9-14(20)19-13-6-4-12(5-7-13)15(21)22-3/h4-8H,9H2,1-3H3,(H,19,20)
InChIKey	XFDGBATZPBCUIN-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5963
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: 121872; Labnumber: EX00112303; VK_ID: VK-005966
Temperature	308 °C