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[1,2,4]triazolo[1,5-a]pyrimidine, 2-(methylthio)-7-(3-nitrophenyl)-5-phenyl-
SpectraBase Compound ID LReMfvCwnK8
InChI InChI=1S/C18H13N5O2S/c1-26-18-20-17-19-15(12-6-3-2-4-7-12)11-16(22(17)21-18)13-8-5-9-14(10-13)23(24)25/h2-11H,1H3
InChIKey CMYXHISQQJEKNS-UHFFFAOYSA-N
Mol Weight 363.4 g/mol
Molecular Formula C18H13N5O2S
Exact Mass 363.078996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4lHpNsulDOO
Name [1,2,4]triazolo[1,5-a]pyrimidine, 2-(methylthio)-7-(3-nitrophenyl)-5-phenyl-
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/C18H13N5O2S/c1-26-18-20-17-19-15(12-6-3-2-4-7-12)11-16(22(17)21-18)13-8-5-9-14(10-13)23(24)25/h2-11H,1H3
InChIKey CMYXHISQQJEKNS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7870
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: F31217; Labnumber: VGU-112338