hexanoic acid, 2-[(1,6-dihydro-6-oxo-4-phenyl-2-pyrimidinyl)thio]-

SpectraBase Compound ID	1JAEay7vKPS
InChI	InChI=1S/C16H18N2O3S/c1-2-3-9-13(15(20)21)22-16-17-12(10-14(19)18-16)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H,20,21)(H,17,18,19)
InChIKey	QPWWUYHVJUXKJM-UHFFFAOYSA-N Google Search
Mol Weight	318.39 g/mol
Molecular Formula	C16H18N2O3S
Exact Mass	318.103814 g/mol

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SpectraBase Spectrum ID	GYvukmZjAdj
Name	hexanoic acid, 2-[(1,6-dihydro-6-oxo-4-phenyl-2-pyrimidinyl)thio]-
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/C16H18N2O3S/c1-2-3-9-13(15(20)21)22-16-17-12(10-14(19)18-16)11-7-5-4-6-8-11/h4-8,10,13H,2-3,9H2,1H3,(H,20,21)(H,17,18,19)
InChIKey	QPWWUYHVJUXKJM-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_5260
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/12218939