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

View entire compound with spectra: 1 NMR

4-benzyl-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID HnADsRODHIU
InChI InChI=1S/C17H17N3S2/c21-17-19-18-16(20(17)10-12-6-2-1-3-7-12)14-11-22-15-9-5-4-8-13(14)15/h1-3,6-7,11H,4-5,8-10H2,(H,19,21)
InChIKey JLJGQCJESIHQKC-UHFFFAOYSA-N
Mol Weight 327.46 g/mol
Molecular Formula C17H17N3S2
Exact Mass 327.08639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BDRVLSqkZuW
Name 4-benzyl-5-(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/C17H17N3S2/c21-17-19-18-16(20(17)10-12-6-2-1-3-7-12)14-11-22-15-9-5-4-8-13(14)15/h1-3,6-7,11H,4-5,8-10H2,(H,19,21)
InChIKey JLJGQCJESIHQKC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6393
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/1023970; Labnumber: COL1489; UZI_ID: UZI-006395
Synonyms 4-benzyl-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C