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5-{[(4-methylphenyl)sulfanyl]methyl}-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
SpectraBase Compound ID 2EC8cHZNiMy
InChI InChI=1S/C18H15N5OS/c1-12-4-6-15(7-5-12)25-11-14-9-16(24)23-18(20-14)21-17(22-23)13-3-2-8-19-10-13/h2-10H,11H2,1H3,(H,20,21,22)
InChIKey FXYCQQFFLNFNFS-UHFFFAOYSA-N
Mol Weight 349.41 g/mol
Molecular Formula C18H15N5OS
Exact Mass 349.099731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 32sVd3ERWHU
Name 5-{[(4-methylphenyl)sulfanyl]methyl}-2-(3-pyridinyl)[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/C18H15N5OS/c1-12-4-6-15(7-5-12)25-11-14-9-16(24)23-18(20-14)21-17(22-23)13-3-2-8-19-10-13/h2-10H,11H2,1H3,(H,20,21,22)
InChIKey FXYCQQFFLNFNFS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35125
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: E83416; SBI_ID: SBI-035129
Temperature 298 °C