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2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-2-pyridinylmethylidene]acetohydrazide
SpectraBase Compound ID 3lDJ27Qp0Xg
InChI InChI=1S/C20H20ClN7OS/c1-2-11-28-18(13-23-16-8-6-15(21)7-9-16)25-27-20(28)30-14-19(29)26-24-12-17-5-3-4-10-22-17/h2-10,12,23H,1,11,13-14H2,(H,26,29)/b24-12+
InChIKey NNJLFDXPQQHBNR-WYMPLXKRSA-N
Mol Weight 441.94 g/mol
Molecular Formula C20H20ClN7OS
Exact Mass 441.113857 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HDPd9E664AR
Name 2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-2-pyridinylmethylidene]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/C20H20ClN7OS/c1-2-11-28-18(13-23-16-8-6-15(21)7-9-16)25-27-20(28)30-14-19(29)26-24-12-17-5-3-4-10-22-17/h2-10,12,23H,1,11,13-14H2,(H,26,29)/b24-12+
InChIKey NNJLFDXPQQHBNR-WYMPLXKRSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17416
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/9054505; UBI_ID: UBI-017419
Synonyms 2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[2-pyridinylmethylidene]acetohydrazide
Temperature 308 °C