John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Bj8jnOQWyKn SpectraBase Spectrum ID=2vqtoh6eW39

(accessed ).
1-BENZYL-3-[(E)-3-METHOXYCARBONYL-2-PROPENYL]-1H,3H-PYRIDO-[2,1-F]-PURINE-2,4-DIONE
SpectraBase Compound ID Bj8jnOQWyKn
InChI InChI=1S/C21H18N4O4/c1-29-17(26)11-7-13-24-20(27)18-19(22-16-10-5-6-12-23(16)18)25(21(24)28)14-15-8-3-2-4-9-15/h2-12H,13-14H2,1H3/b11-7+
InChIKey QMVIRIRZLGPOAA-YRNVUSSQSA-N
Mol Weight 390.4 g/mol
Molecular Formula C21H18N4O4
Exact Mass 390.132805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2vqtoh6eW39
Name 1-BENZYL-3-[(E)-3-METHOXYCARBONYL-2-PROPENYL]-1H,3H-PYRIDO-[2,1-F]-PURINE-2,4-DIONE
Compound Number 16
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N4O4
InChI InChI=1S/C21H18N4O4/c1-29-17(26)11-7-13-24-20(27)18-19(22-16-10-5-6-12-23(16)18)25(21(24)28)14-15-8-3-2-4-9-15/h2-12H,13-14H2,1H3/b11-7+
InChIKey QMVIRIRZLGPOAA-YRNVUSSQSA-N
Literature Reference Author E.M.PRIEGO,J.V.F.D.KUENZEL,A.P.I.JZERMAN,M.R.CAMARASA,M.J.PE REZ-PEREZ
Literature Reference Citation J.MED.CHEM.,45,3337(2002)
Literature Reference DOI 10.1021/jm0208469
Molecular Weight 390.398 g/mol
Sample ID 64866
Solvent CDCl3
SpectraBase Batch ID BCQP9sKfHLu