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2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]acetohydrazide
SpectraBase Compound ID DZwQO4ROCA8
InChI InChI=1S/C25H22N6O3S/c32-24(29-27-14-18-11-12-21-22(13-18)34-17-33-21)16-35-25-30-28-23(15-26-19-7-3-1-4-8-19)31(25)20-9-5-2-6-10-20/h1-14,26H,15-17H2,(H,29,32)/b27-14+
InChIKey ZPBWBJFBDASEFP-MZJWZYIUSA-N
Mol Weight 486.55 g/mol
Molecular Formula C25H22N6O3S
Exact Mass 486.14741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DSgb1KGrnLL
Name 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]acetohydrazide
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/C25H22N6O3S/c32-24(29-27-14-18-11-12-21-22(13-18)34-17-33-21)16-35-25-30-28-23(15-26-19-7-3-1-4-8-19)31(25)20-9-5-2-6-10-20/h1-14,26H,15-17H2,(H,29,32)/b27-14+
InChIKey ZPBWBJFBDASEFP-MZJWZYIUSA-N
NMR Offset 15.3255
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16196
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/8079579; UBI_ID: UBI-016199
Synonyms 2-{[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1,3-benzodioxol-5-ylmethylidene]acetohydrazide
Temperature 318 °C