hexanoic acid, 2-[[1,6-dihydro-4-methyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]-

SpectraBase Compound ID	1TTCB145Rnk
InChI	InChI=1S/C18H22N2O3S/c1-3-4-10-15(17(22)23)24-18-19-12(2)14(16(21)20-18)11-13-8-6-5-7-9-13/h5-9,15H,3-4,10-11H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKey	CQKPUBAOCCCNJW-UHFFFAOYSA-N Google Search
Mol Weight	346.45 g/mol
Molecular Formula	C18H22N2O3S
Exact Mass	346.135114 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	8sVNndXEpO8
Name	hexanoic acid, 2-[[1,6-dihydro-4-methyl-6-oxo-5-(phenylmethyl)-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/C18H22N2O3S/c1-3-4-10-15(17(22)23)24-18-19-12(2)14(16(21)20-18)11-13-8-6-5-7-9-13/h5-9,15H,3-4,10-11H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKey	CQKPUBAOCCCNJW-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_5262
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/12218941