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2-[(4-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
SpectraBase Compound ID Et9nT6NqSR9
InChI InChI=1S/C16H17ClN4OS/c1-3-4-13-10(2)18-15-19-16(20-21(15)14(13)22)23-9-11-5-7-12(17)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKey VZIJPOKYFYYAFB-UHFFFAOYSA-N
Mol Weight 348.85 g/mol
Molecular Formula C16H17ClN4OS
Exact Mass 348.08116 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K8mFBDL4fWL
Name 2-[(4-chlorobenzyl)sulfanyl]-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
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/C16H17ClN4OS/c1-3-4-13-10(2)18-15-19-16(20-21(15)14(13)22)23-9-11-5-7-12(17)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKey VZIJPOKYFYYAFB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35130
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: E83443; SBI_ID: SBI-035134
Temperature 298 °C