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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID Y2cES8qZUB
InChI InChI=1S/C18H23N9O5/c1-26(2)9-11-14(21-25-27(11)17-16(19)23-32-24-17)18(28)22-20-8-10-6-12(29-3)15(31-5)13(7-10)30-4/h6-8H,9H2,1-5H3,(H2,19,23)(H,22,28)/b20-8+
InChIKey MUQKMJBGSCGEQR-DNTJNYDQSA-N
Mol Weight 445.44 g/mol
Molecular Formula C18H23N9O5
Exact Mass 445.182215 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BoSyXBgWHOO
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-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/C18H23N9O5/c1-26(2)9-11-14(21-25-27(11)17-16(19)23-32-24-17)18(28)22-20-8-10-6-12(29-3)15(31-5)13(7-10)30-4/h6-8H,9H2,1-5H3,(H2,19,23)(H,22,28)/b20-8+
InChIKey MUQKMJBGSCGEQR-DNTJNYDQSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23154
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: D37138; Labnumber: NIG1-2103; SBI_ID: SBI-023158
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(3,4,5-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 306 °C