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4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2,6-dimethoxyphenyl acetate

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4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2,6-dimethoxyphenyl acetate
SpectraBase Compound ID CTbs0TwqWYV
InChI InChI=1S/C19H22N8O6/c1-5-6-12-15(22-26-27(12)18-17(20)24-33-25-18)19(29)23-21-9-11-7-13(30-3)16(32-10(2)28)14(8-11)31-4/h7-9H,5-6H2,1-4H3,(H2,20,24)(H,23,29)/b21-9+
InChIKey CLRQIWWODOCKMA-ZVBGSRNCSA-N
Mol Weight 458.44 g/mol
Molecular Formula C19H22N8O6
Exact Mass 458.16623 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JnUWLIpzy7u
Name 4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2,6-dimethoxyphenyl acetate
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/C19H22N8O6/c1-5-6-12-15(22-26-27(12)18-17(20)24-33-25-18)19(29)23-21-9-11-7-13(30-3)16(32-10(2)28)14(8-11)31-4/h7-9H,5-6H2,1-4H3,(H2,20,24)(H,23,29)/b21-9+
InChIKey CLRQIWWODOCKMA-ZVBGSRNCSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28121
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: D80442; Labnumber: NIG2-2909; SBI_ID: SBI-028125
Synonyms 4-[({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2,6-dimethoxyphenyl acetate
Temperature 308 °C