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N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenyl}acetamide
SpectraBase Compound ID FRDEnYO74Rg
InChI InChI=1S/C22H21N9O4/c1-3-34-17-10-6-15(7-11-17)19-18(26-30-31(19)21-20(23)28-35-29-21)22(33)27-24-12-14-4-8-16(9-5-14)25-13(2)32/h4-12H,3H2,1-2H3,(H2,23,28)(H,25,32)(H,27,33)/b24-12+
InChIKey PRPNLVAOAOJXLI-WYMPLXKRSA-N
Mol Weight 475.47 g/mol
Molecular Formula C22H21N9O4
Exact Mass 475.17165 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gpmux47vg19
Name N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenyl}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/C22H21N9O4/c1-3-34-17-10-6-15(7-11-17)19-18(26-30-31(19)21-20(23)28-35-29-21)22(33)27-24-12-14-4-8-16(9-5-14)25-13(2)32/h4-12H,3H2,1-2H3,(H2,23,28)(H,25,32)(H,27,33)/b24-12+
InChIKey PRPNLVAOAOJXLI-WYMPLXKRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25083
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: D49117; Labnumber: NIG1-2155; SBI_ID: SBI-025087
Synonyms N-{4-[(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenyl}acetamide
Temperature 318 °C