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4-(3-methylphenyl)-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol

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4-(3-methylphenyl)-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Bdzv8ONG4fl
InChI InChI=1S/C18H19N3S2/c1-11-4-3-5-13(8-11)21-17(19-20-18(21)22)15-10-23-16-9-12(2)6-7-14(15)16/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,20,22)
InChIKey OSGAERKXSJKULQ-UHFFFAOYSA-N
Mol Weight 341.49 g/mol
Molecular Formula C18H19N3S2
Exact Mass 341.10204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID NoR4eHeQBS
Name 4-(3-methylphenyl)-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)-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/C18H19N3S2/c1-11-4-3-5-13(8-11)21-17(19-20-18(21)22)15-10-23-16-9-12(2)6-7-14(15)16/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,20,22)
InChIKey OSGAERKXSJKULQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6407
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: UZI/1025562; Labnumber: COL1513; UZI_ID: UZI-006409
Synonyms 4-(3-methylphenyl)-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C