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4-(1,3-benzodioxol-5-yl)-5-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

4-(1,3-benzodioxol-5-yl)-5-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 4H3KSM4lOZQ
InChI InChI=1S/C16H12ClN3O3S/c1-21-12-4-2-9(17)6-11(12)15-18-19-16(24)20(15)10-3-5-13-14(7-10)23-8-22-13/h2-7H,8H2,1H3,(H,19,24)
InChIKey NZFWZXRLZOBXIK-UHFFFAOYSA-N
Mol Weight 361.8 g/mol
Molecular Formula C16H12ClN3O3S
Exact Mass 361.02879 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EAamHlHapMo
Name 4-(1,3-benzodioxol-5-yl)-5-(5-chloro-2-methoxyphenyl)-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/C16H12ClN3O3S/c1-21-12-4-2-9(17)6-11(12)15-18-19-16(24)20(15)10-3-5-13-14(7-10)23-8-22-13/h2-7H,8H2,1H3,(H,19,24)
InChIKey NZFWZXRLZOBXIK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35207
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: E85075; SBI_ID: SBI-035211
Synonyms 4-(1,3-benzodioxol-5-yl)-5-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 298 °C