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5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID FitLcwcN0BC
InChI InChI=1S/C16H14ClN3O2S/c1-21-13-8-4-12(5-9-13)20-15(18-19-16(20)23)10-22-14-6-2-11(17)3-7-14/h2-9H,10H2,1H3,(H,19,23)
InChIKey SJIWTFNQYSGBCG-UHFFFAOYSA-N
Mol Weight 347.82 g/mol
Molecular Formula C16H14ClN3O2S
Exact Mass 347.049526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Uxplk3y054
Name 5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
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/C16H14ClN3O2S/c1-21-13-8-4-12(5-9-13)20-15(18-19-16(20)23)10-22-14-6-2-11(17)3-7-14/h2-9H,10H2,1H3,(H,19,23)
InChIKey SJIWTFNQYSGBCG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11200
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: E06267; Labnumber: GRES-19374; SBI_ID: SBI-011203
Synonyms 5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C