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4-benzyl-5-[2-(4-isopropoxyphenyl)ethyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 1YYRGVGq4ff
InChI InChI=1S/C20H23N3OS/c1-15(2)24-18-11-8-16(9-12-18)10-13-19-21-22-20(25)23(19)14-17-6-4-3-5-7-17/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,22,25)
InChIKey YLAQBSIIONCHJC-UHFFFAOYSA-N
Mol Weight 353.48 g/mol
Molecular Formula C20H23N3OS
Exact Mass 353.156184 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1VhyHFAnAEO
Name 4-benzyl-5-[2-(4-isopropoxyphenyl)ethyl]-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/C20H23N3OS/c1-15(2)24-18-11-8-16(9-12-18)10-13-19-21-22-20(25)23(19)14-17-6-4-3-5-7-17/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,22,25)
InChIKey YLAQBSIIONCHJC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26638
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: D63707; Labnumber: AEKA03-0119; SBI_ID: SBI-026642
Synonyms 4-benzyl-5-[2-(4-isopropoxyphenyl)ethyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 315 °C