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4-benzyl-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5LKOtJd1s0X
InChI InChI=1S/C19H19N3S/c1-13-7-9-15(10-8-13)16-11-17(16)18-20-21-19(23)22(18)12-14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,21,23)
InChIKey BAFJXKRILKTZMP-UHFFFAOYSA-N
Mol Weight 321.44 g/mol
Molecular Formula C19H19N3S
Exact Mass 321.129969 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DHRCym6u4ld
Name 4-benzyl-5-[2-(4-methylphenyl)cyclopropyl]-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/C19H19N3S/c1-13-7-9-15(10-8-13)16-11-17(16)18-20-21-19(23)22(18)12-14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,21,23)
InChIKey BAFJXKRILKTZMP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10571
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/1026007; Labnumber: KUZ0264; UZI_ID: UZI-010573
Synonyms 4-benzyl-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C