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[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-phenyl-5-[(2-pyrimidinylthio)methyl]-
SpectraBase Compound ID A4xXy5uFfdw
InChI InChI=1S/C16H12N6OS/c23-13-9-12(10-24-16-17-7-4-8-18-16)19-15-20-14(21-22(13)15)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20,21)
InChIKey KTIPBKUTYOBNOE-UHFFFAOYSA-N
Mol Weight 336.37 g/mol
Molecular Formula C16H12N6OS
Exact Mass 336.07933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gq6gHgwFoN8
Name [1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-phenyl-5-[(2-pyrimidinylthio)methyl]-
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/C16H12N6OS/c23-13-9-12(10-24-16-17-7-4-8-18-16)19-15-20-14(21-22(13)15)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20,21)
InChIKey KTIPBKUTYOBNOE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_982
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: F06903; Labnumber: VGU-S0022-1065