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4-benzyl-5-[(1-naphthyloxy)methyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID HmppGBHHfIK
InChI InChI=1S/C20H17N3OS/c25-20-22-21-19(23(20)13-15-7-2-1-3-8-15)14-24-18-12-6-10-16-9-4-5-11-17(16)18/h1-12H,13-14H2,(H,22,25)
InChIKey LFJWRVSQJQBNJF-UHFFFAOYSA-N
Mol Weight 347.44 g/mol
Molecular Formula C20H17N3OS
Exact Mass 347.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ANWkJK5D4DO
Name 4-benzyl-5-[(1-naphthyloxy)methyl]-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/C20H17N3OS/c25-20-22-21-19(23(20)13-15-7-2-1-3-8-15)14-24-18-12-6-10-16-9-4-5-11-17(16)18/h1-12H,13-14H2,(H,22,25)
InChIKey LFJWRVSQJQBNJF-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26637
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: D63706; Labnumber: AEKA03-0054; SBI_ID: SBI-026641
Synonyms 4-benzyl-5-[(1-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 315 °C