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4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-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-isopropyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2,6-dimethoxyphenyl acetate
SpectraBase Compound ID J4eEimmV1U0
InChI InChI=1S/C19H22N8O6/c1-9(2)15-14(22-26-27(15)18-17(20)24-33-25-18)19(29)23-21-8-11-6-12(30-4)16(32-10(3)28)13(7-11)31-5/h6-9H,1-5H3,(H2,20,24)(H,23,29)/b21-8+
InChIKey JRBOSZURFQYAPR-ODCIPOBUSA-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 6bE9K7VZdK
Name 4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-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/c1-9(2)15-14(22-26-27(15)18-17(20)24-33-25-18)19(29)23-21-8-11-6-12(30-4)16(32-10(3)28)13(7-11)31-5/h6-9H,1-5H3,(H2,20,24)(H,23,29)/b21-8+
InChIKey JRBOSZURFQYAPR-ODCIPOBUSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23399
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: D37546; Labnumber: NIG1-3423; SBI_ID: SBI-023403
Synonyms 4-[({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2,6-dimethoxyphenyl acetate
Temperature 315 °C