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[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-[[(4-chlorophenyl)methyl]thio]-5-[(2-pyrimidinylthio)methyl]-
SpectraBase Compound ID 3pAUkbPge4G
InChI InChI=1S/C17H13ClN6OS2/c18-12-4-2-11(3-5-12)9-26-17-22-15-21-13(8-14(25)24(15)23-17)10-27-16-19-6-1-7-20-16/h1-8H,9-10H2,(H,21,22,23)
InChIKey IFBSEETVJFHQES-UHFFFAOYSA-N
Mol Weight 416.91 g/mol
Molecular Formula C17H13ClN6OS2
Exact Mass 416.028079 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1LKMTRPZf83
Name [1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-[[(4-chlorophenyl)methyl]thio]-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/C17H13ClN6OS2/c18-12-4-2-11(3-5-12)9-26-17-22-15-21-13(8-14(25)24(15)23-17)10-27-16-19-6-1-7-20-16/h1-8H,9-10H2,(H,21,22,23)
InChIKey IFBSEETVJFHQES-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1074
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: F07126; Labnumber: VGU-S0022-0941