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2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(6-methyl-2-pyridinyl)methylidene]acetohydrazide

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2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(6-methyl-2-pyridinyl)methylidene]acetohydrazide
SpectraBase Compound ID FXFQhL8IWXk
InChI InChI=1S/C21H21ClN6O2S/c1-3-11-28-19(13-30-18-9-7-16(22)8-10-18)25-27-21(28)31-14-20(29)26-23-12-17-6-4-5-15(2)24-17/h3-10,12H,1,11,13-14H2,2H3,(H,26,29)/b23-12+
InChIKey BULAADBTQOJDDM-FSJBWODESA-N
Mol Weight 456.95 g/mol
Molecular Formula C21H21ClN6O2S
Exact Mass 456.113523 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LYpU3NqGYLL
Name 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-(6-methyl-2-pyridinyl)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/C21H21ClN6O2S/c1-3-11-28-19(13-30-18-9-7-16(22)8-10-18)25-27-21(28)31-14-20(29)26-23-12-17-6-4-5-15(2)24-17/h3-10,12H,1,11,13-14H2,2H3,(H,26,29)/b23-12+
InChIKey BULAADBTQOJDDM-FSJBWODESA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16391
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/8114672; UBI_ID: UBI-016394
Synonyms 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(6-methyl-2-pyridinyl)methylidene]acetohydrazide
Temperature 313 °C