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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5-(2-thienyl)-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 1rVLwaQ9sgN
InChI InChI=1S/C18H16N8O5S/c1-29-10-6-9(7-11(30-2)15(10)27)8-20-22-18(28)13-14(12-4-3-5-32-12)26(25-21-13)17-16(19)23-31-24-17/h3-8,27H,1-2H3,(H2,19,23)(H,22,28)/b20-8+
InChIKey CGUOTQONEPOPCO-DNTJNYDQSA-N
Mol Weight 456.44 g/mol
Molecular Formula C18H16N8O5S
Exact Mass 456.096437 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 52zzl89mEXR
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5-(2-thienyl)-1H-1,2,3-triazole-4-carbohydrazide
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/C18H16N8O5S/c1-29-10-6-9(7-11(30-2)15(10)27)8-20-22-18(28)13-14(12-4-3-5-32-12)26(25-21-13)17-16(19)23-31-24-17/h3-8,27H,1-2H3,(H2,19,23)(H,22,28)/b20-8+
InChIKey CGUOTQONEPOPCO-DNTJNYDQSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28849
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: D90153; Labnumber: MROZ-1402; SBI_ID: SBI-028853
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5-(2-thienyl)-1H-1,2,3-triazole-4-carbohydrazide
Temperature 306 °C