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Xanthine, 1,3-diallyl-8-[4-carboxymethoxypheny]-

View entire compound with spectra: 1 NMR

Xanthine, 1,3-diallyl-8-[4-carboxymethoxypheny]-
SpectraBase Compound ID F58icNt83a3
InChI InChI=1S/C19H18N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h3-8H,1-2,9-11H2,(H,20,21)(H,24,25)
InChIKey CZKQVHBXRSZWAF-UHFFFAOYSA-N
Mol Weight 382.38 g/mol
Molecular Formula C19H18N4O5
Exact Mass 382.12772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYZIFitVXJp
Name Xanthine, 1,3-diallyl-8-[4-carboxymethoxypheny]-
Comments Computed using HOSE algorithm
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Exact Mass 382.127719691 u
Formula C19H18N4O5
InChI InChI=1S/C19H18N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h3-8H,1-2,9-11H2,(H,20,21)(H,24,25)
InChIKey CZKQVHBXRSZWAF-UHFFFAOYSA-N
Molecular Weight 382.376 g/mol
SMILES C12=C(C(N(C(N2CC=C)=O)CC=C)=O)NC(=N1)C1=CC=C(C=C1)OCC(O)=O