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4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol

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4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9tj6SdCc7G3
InChI InChI=1S/C17H17N3OS/c1-12-8-9-15(13(2)10-12)20-16(18-19-17(20)22)11-21-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,22)
InChIKey ZOGLRELNAWAHIZ-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9b56TBKDPBT
Name 4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
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/C17H17N3OS/c1-12-8-9-15(13(2)10-12)20-16(18-19-17(20)22)11-21-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,22)
InChIKey ZOGLRELNAWAHIZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6444
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: NMR/11252624; Labnumber: 1329; IOH_ID: IOH-006445
Synonyms 4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl hydrosulfide