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2-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]benzoic acid
SpectraBase Compound ID JGoUCoKymca
InChI InChI=1S/C16H16N8O4/c1-2-5-11-12(19-23-24(11)14-13(17)21-28-22-14)15(25)20-18-8-9-6-3-4-7-10(9)16(26)27/h3-4,6-8H,2,5H2,1H3,(H2,17,21)(H,20,25)(H,26,27)/b18-8+
InChIKey QUMZWDDZSCRMTH-QGMBQPNBSA-N
Mol Weight 384.36 g/mol
Molecular Formula C16H16N8O4
Exact Mass 384.129451 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hu5dDTJzyMH
Name 2-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]benzoic acid
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/C16H16N8O4/c1-2-5-11-12(19-23-24(11)14-13(17)21-28-22-14)15(25)20-18-8-9-6-3-4-7-10(9)16(26)27/h3-4,6-8H,2,5H2,1H3,(H2,17,21)(H,20,25)(H,26,27)/b18-8+
InChIKey QUMZWDDZSCRMTH-QGMBQPNBSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28125
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: D80448; Labnumber: NIG2-2924; SBI_ID: SBI-028129
Synonyms 2-[({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]benzoic acid
Temperature 308 °C