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

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2-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]benzoic acid
SpectraBase Compound ID tVDr0I5mUP
InChI InChI=1S/C19H13N9O6/c20-16-17(25-34-24-16)27-15(10-5-7-12(8-6-10)28(32)33)14(22-26-27)18(29)23-21-9-11-3-1-2-4-13(11)19(30)31/h1-9H,(H2,20,24)(H,23,29)(H,30,31)/b21-9+
InChIKey BQFSTLXNXCKISS-ZVBGSRNCSA-N
Mol Weight 463.37 g/mol
Molecular Formula C19H13N9O6
Exact Mass 463.098879 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JYeDOvOmjpf
Name 2-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-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/C19H13N9O6/c20-16-17(25-34-24-16)27-15(10-5-7-12(8-6-10)28(32)33)14(22-26-27)18(29)23-21-9-11-3-1-2-4-13(11)19(30)31/h1-9H,(H2,20,24)(H,23,29)(H,30,31)/b21-9+
InChIKey BQFSTLXNXCKISS-ZVBGSRNCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23387
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: D37526; Labnumber: NIG1-3334; SBI_ID: SBI-023391
Synonyms 2-[({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]benzoic acid
Temperature 315 °C