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1,2,4-Triazole, 5-methylthio-5-phenyl-

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1,2,4-Triazole, 5-methylthio-5-phenyl-
SpectraBase Compound ID KaHwpNJaYnC
InChI InChI=1S/C9H9N3S/c1-13-9-10-8(11-12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12)
InChIKey HKFUGORCXQUEIS-UHFFFAOYSA-N
Mol Weight 191.25 g/mol
Molecular Formula C9H9N3S
Exact Mass 191.051718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3kCh5Rka92n
Name methyl 3-phenyl-1H-1,2,4-triazol-5-yl sulfide
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/C9H9N3S/c1-13-9-10-8(11-12-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12)
InChIKey HKFUGORCXQUEIS-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_1161
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: ZI/8023401; Labnumber: LP-3101339; IOH_ID: IOH-001162
Synonyms 5-(methylsulfanyl)-3-phenyl-1H-1,2,4-triazole
Temperature 297 °C