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2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-4-pyridinylmethylidene]acetohydrazide
SpectraBase Compound ID 6MwJ5nFNamW
InChI InChI=1S/C18H18ClN7OS/c1-26-16(11-21-15-4-2-3-14(19)9-15)23-25-18(26)28-12-17(27)24-22-10-13-5-7-20-8-6-13/h2-10,21H,11-12H2,1H3,(H,24,27)/b22-10+
InChIKey LSAIQBQYTLVTDU-LSHDLFTRSA-N
Mol Weight 415.9 g/mol
Molecular Formula C18H18ClN7OS
Exact Mass 415.098207 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3T0K8YJlxMS
Name 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(E)-4-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/C18H18ClN7OS/c1-26-16(11-21-15-4-2-3-14(19)9-15)23-25-18(26)28-12-17(27)24-22-10-13-5-7-20-8-6-13/h2-10,21H,11-12H2,1H3,(H,24,27)/b22-10+
InChIKey LSAIQBQYTLVTDU-LSHDLFTRSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19814
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/9151254; UBI_ID: UBI-019818
Synonyms 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[4-pyridinylmethylidene]acetohydrazide
Temperature 313 °C