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{4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetic acid

View entire compound with spectra: 1 NMR

{4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetic acid
SpectraBase Compound ID 5STVdnnQ7ZB
InChI InChI=1S/C21H16N8O7/c22-19-20(27-36-26-19)29-18(12-3-6-14-15(7-12)35-10-34-14)17(24-28-29)21(32)25-23-8-11-1-4-13(5-2-11)33-9-16(30)31/h1-8H,9-10H2,(H2,22,26)(H,25,32)(H,30,31)/b23-8+
InChIKey HMZBRAFZCUJNFJ-LIMNOBDPSA-N
Mol Weight 492.41 g/mol
Molecular Formula C21H16N8O7
Exact Mass 492.114195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GAln42XDcxO
Name {4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H16N8O7/c22-19-20(27-36-26-19)29-18(12-3-6-14-15(7-12)35-10-34-14)17(24-28-29)21(32)25-23-8-11-1-4-13(5-2-11)33-9-16(30)31/h1-8H,9-10H2,(H2,22,26)(H,25,32)(H,30,31)/b23-8+
InChIKey HMZBRAFZCUJNFJ-LIMNOBDPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13781
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: D90294; Labnumber: MROZ-1618; SBI_ID: SBI-013784
Synonyms {4-[({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetic acid
Temperature 318 °C