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1H-purine-7-acetic acid, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-, 2-[(E)-[4-(trifluoromethyl)phenyl]methylidene]hydrazide

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1H-purine-7-acetic acid, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-, 2-[(E)-[4-(trifluoromethyl)phenyl]methylidene]hydrazide
SpectraBase Compound ID JbcHaFSEViI
InChI InChI=1S/C17H15F3N6O3/c1-24-14-13(15(28)25(2)16(24)29)26(9-21-14)8-12(27)23-22-7-10-3-5-11(6-4-10)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,23,27)/b22-7+
InChIKey GJYKZROJKIHDIJ-QPJQQBGISA-N
Mol Weight 408.34 g/mol
Molecular Formula C17H15F3N6O3
Exact Mass 408.115773 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2HpHUFojLOt
Name 1H-purine-7-acetic acid, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-, 2-[(E)-[4-(trifluoromethyl)phenyl]methylidene]hydrazide
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/C17H15F3N6O3/c1-24-14-13(15(28)25(2)16(24)29)26(9-21-14)8-12(27)23-22-7-10-3-5-11(6-4-10)17(18,19)20/h3-7,9H,8H2,1-2H3,(H,23,27)/b22-7+
InChIKey GJYKZROJKIHDIJ-QPJQQBGISA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5040
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: NMR/10248720