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Ethyl 7-(4-chlorophenyl)-2-methylthio-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID DagU7qXPn0o
InChI InChI=1S/C16H17ClN4O2S/c1-4-23-14(22)12-9(2)18-15-19-16(24-3)20-21(15)13(12)10-5-7-11(17)8-6-10/h5-8,13H,4H2,1-3H3,(H,18,19,20)
InChIKey IKPNAIVSKQELDM-UHFFFAOYSA-N
Mol Weight 364.85 g/mol
Molecular Formula C16H17ClN4O2S
Exact Mass 364.076075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4v7aAZBXt6d
Name ethyl 7-(4-chlorophenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
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/C16H17ClN4O2S/c1-4-23-14(22)12-9(2)18-15-19-16(24-3)20-21(15)13(12)10-5-7-11(17)8-6-10/h5-8,13H,4H2,1-3H3,(H,18,19,20)
InChIKey IKPNAIVSKQELDM-UHFFFAOYSA-N
NMR Offset 17.912
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33876
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: 1996787; SBI_ID: SBI-033880
Temperature 303 °C