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2-{4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2-ethoxyphenoxy}acetamide
SpectraBase Compound ID 809m92DnyjP
InChI InChI=1S/C23H23N9O6/c1-2-35-18-10-14(8-9-17(18)37-13-19(24)33)11-26-28-23(34)20-16(12-36-15-6-4-3-5-7-15)32(31-27-20)22-21(25)29-38-30-22/h3-11H,2,12-13H2,1H3,(H2,24,33)(H2,25,29)(H,28,34)/b26-11+
InChIKey QPFCRRWXBQKJEH-KBKYJPHKSA-N
Mol Weight 521.49 g/mol
Molecular Formula C23H23N9O6
Exact Mass 521.177129 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KJdrR7RlFFK
Name 2-{4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2-ethoxyphenoxy}acetamide
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/C23H23N9O6/c1-2-35-18-10-14(8-9-17(18)37-13-19(24)33)11-26-28-23(34)20-16(12-36-15-6-4-3-5-7-15)32(31-27-20)22-21(25)29-38-30-22/h3-11H,2,12-13H2,1H3,(H2,24,33)(H2,25,29)(H,28,34)/b26-11+
InChIKey QPFCRRWXBQKJEH-KBKYJPHKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20374
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: D16631; Labnumber: NIG-3876; SBI_ID: SBI-020378
Synonyms 2-{4-[({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2-ethoxyphenoxy}acetamide
Temperature 318 °C