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[1,2,4]triazino[3,4-f]purine-1-acetic acid, 1,4,6,7,8,9-hexahydro-3,9-dimethyl-6,8-dioxo-7-[(2E)-3-phenyl-2-propenyl]-
SpectraBase Compound ID GrB4Y7Bz4Ab
InChI InChI=1S/C20H20N6O4/c1-13-11-25-16-17(21-19(25)26(22-13)12-15(27)28)23(2)20(30)24(18(16)29)10-6-9-14-7-4-3-5-8-14/h3-9H,10-12H2,1-2H3,(H,27,28)/b9-6+
InChIKey JRHYJNQLLFFAER-RMKNXTFCSA-N
Mol Weight 408.42 g/mol
Molecular Formula C20H20N6O4
Exact Mass 408.154603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID oyRsl70h4E
Name [1,2,4]triazino[3,4-f]purine-1-acetic acid, 1,4,6,7,8,9-hexahydro-3,9-dimethyl-6,8-dioxo-7-[(2E)-3-phenyl-2-propenyl]-
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/C20H20N6O4/c1-13-11-25-16-17(21-19(25)26(22-13)12-15(27)28)23(2)20(30)24(18(16)29)10-6-9-14-7-4-3-5-8-14/h3-9H,10-12H2,1-2H3,(H,27,28)/b9-6+
InChIKey JRHYJNQLLFFAER-RMKNXTFCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2847
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: F15740; Labnumber: FEDUL-S0330-6972