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

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{4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-thienyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetic acid
SpectraBase Compound ID Fe3804ytcJA
InChI InChI=1S/C18H14N8O5S/c19-16-17(24-31-23-16)26-15(12-2-1-7-32-12)14(21-25-26)18(29)22-20-8-10-3-5-11(6-4-10)30-9-13(27)28/h1-8H,9H2,(H2,19,23)(H,22,29)(H,27,28)/b20-8+
InChIKey UEJBPFNFBKPHDC-DNTJNYDQSA-N
Mol Weight 454.42 g/mol
Molecular Formula C18H14N8O5S
Exact Mass 454.080787 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3BgEoSyP9WM
Name {4-[(E)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-thienyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetic 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/C18H14N8O5S/c19-16-17(24-31-23-16)26-15(12-2-1-7-32-12)14(21-25-26)18(29)22-20-8-10-3-5-11(6-4-10)30-9-13(27)28/h1-8H,9H2,(H2,19,23)(H,22,29)(H,27,28)/b20-8+
InChIKey UEJBPFNFBKPHDC-DNTJNYDQSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28883
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: D90199; Labnumber: MROZ-1470; SBI_ID: SBI-028887
Synonyms {4-[({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-thienyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}acetic acid
Temperature 306 °C