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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(6-methyl-2-pyridinyl)methylidene]acetohydrazide
SpectraBase Compound ID Y3IYEsbZXj
InChI InChI=1S/C21H22N6O2S/c1-3-12-27-19(14-29-18-10-5-4-6-11-18)24-26-21(27)30-15-20(28)25-22-13-17-9-7-8-16(2)23-17/h3-11,13H,1,12,14-15H2,2H3,(H,25,28)/b22-13+
InChIKey KFOZOYIZNBNQLF-LPYMAVHISA-N
Mol Weight 422.51 g/mol
Molecular Formula C21H22N6O2S
Exact Mass 422.152495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H0BpigYb6hu
Name 2-{[4-allyl-5-(phenoxymethyl)-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/C21H22N6O2S/c1-3-12-27-19(14-29-18-10-5-4-6-11-18)24-26-21(27)30-15-20(28)25-22-13-17-9-7-8-16(2)23-17/h3-11,13H,1,12,14-15H2,2H3,(H,25,28)/b22-13+
InChIKey KFOZOYIZNBNQLF-LPYMAVHISA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16335
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/8102367; UBI_ID: UBI-016338
Synonyms 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(6-methyl-2-pyridinyl)methylidene]acetohydrazide
Temperature 313 °C