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2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide

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2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(3-hydroxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID DOcp7BMdZ0G
InChI InChI=1S/C21H21IN6O2S/c1-2-10-28-19(13-23-17-8-6-16(22)7-9-17)25-27-21(28)31-14-20(30)26-24-12-15-4-3-5-18(29)11-15/h2-9,11-12,23,29H,1,10,13-14H2,(H,26,30)/b24-12+
InChIKey SCCYGWVFNJPHHC-WYMPLXKRSA-N
Mol Weight 548.4 g/mol
Molecular Formula C21H21IN6O2S
Exact Mass 548.04914 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JR3HEt66V32
Name 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(3-hydroxyphenyl)methylidene]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/C21H21IN6O2S/c1-2-10-28-19(13-23-17-8-6-16(22)7-9-17)25-27-21(28)31-14-20(30)26-24-12-15-4-3-5-18(29)11-15/h2-9,11-12,23,29H,1,10,13-14H2,(H,26,30)/b24-12+
InChIKey SCCYGWVFNJPHHC-WYMPLXKRSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16675
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/8164345; UBI_ID: UBI-016678
Synonyms 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3-hydroxyphenyl)methylidene]acetohydrazide
Temperature 313 °C