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3-[(2,4-dichlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
SpectraBase Compound ID CJGfYbSltOF
InChI InChI=1S/C14H12Cl2N4S/c1-8-5-9(2)20-13(17-8)18-19-14(20)21-7-10-3-4-11(15)6-12(10)16/h3-6H,7H2,1-2H3
InChIKey JKCOJLVRIKNVLI-UHFFFAOYSA-N
Mol Weight 339.24 g/mol
Molecular Formula C14H12Cl2N4S
Exact Mass 338.015973 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 53S5XVYDOjZ
Name 3-[(2,4-dichlorobenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
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/C14H12Cl2N4S/c1-8-5-9(2)20-13(17-8)18-19-14(20)21-7-10-3-4-11(15)6-12(10)16/h3-6H,7H2,1-2H3
InChIKey JKCOJLVRIKNVLI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_482
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: 602510EX00072740; Labnumber: 602510EX00072740; VK_ID: VK-000483
Synonyms 2,4-dichlorobenzyl 5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl sulfide
Temperature 308 °C