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N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-(7-oxo-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl)acetohydrazide
SpectraBase Compound ID SIVDPae278
InChI InChI=1S/C21H16N6O4/c28-19(25-23-10-14-6-7-17-18(8-14)31-13-30-17)11-26-16(15-4-2-1-3-5-15)9-20(29)27-21(26)22-12-24-27/h1-10,12H,11,13H2,(H,25,28)/b23-10+
InChIKey DMJSZFLGNWREID-AUEPDCJTSA-N
Mol Weight 416.4 g/mol
Molecular Formula C21H16N6O4
Exact Mass 416.123303 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Xc2ZhXkCUR
Name N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-(7-oxo-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl)acetohydrazide
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/C21H16N6O4/c28-19(25-23-10-14-6-7-17-18(8-14)31-13-30-17)11-26-16(15-4-2-1-3-5-15)9-20(29)27-21(26)22-12-24-27/h1-10,12H,11,13H2,(H,25,28)/b23-10+
InChIKey DMJSZFLGNWREID-AUEPDCJTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14002
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: MAY-13/0072; UBI_ID: UBI-014005
Synonyms N'-[1,3-benzodioxol-5-ylmethylidene]-2-(7-oxo-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl)acetohydrazide
Temperature 318 °C