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

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4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 9qONNviKq8q
InChI InChI=1S/C18H19N3S2/c1-11-7-8-12(2)15(9-11)21-17(19-20-18(21)22)14-10-23-16-6-4-3-5-13(14)16/h7-10H,3-6H2,1-2H3,(H,20,22)
InChIKey AXPBSFVLTXJHSW-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 6wyVzP4VCcH
Name 4-(2,5-dimethylphenyl)-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/C18H19N3S2/c1-11-7-8-12(2)15(9-11)21-17(19-20-18(21)22)14-10-23-16-6-4-3-5-13(14)16/h7-10H,3-6H2,1-2H3,(H,20,22)
InChIKey AXPBSFVLTXJHSW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6389
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/1023891; Labnumber: COL1485; UZI_ID: UZI-006391
Synonyms 4-(2,5-dimethylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C