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Xanthine, 2,4,7-trimethyl-8-[2-[2-methylphenyl]ethenyl]-

View entire compound with spectra: 1 NMR

Xanthine, 2,4,7-trimethyl-8-[2-[2-methylphenyl]ethenyl]-
SpectraBase Compound ID DDxRuQHSwUB
InChI InChI=1S/C17H18N4O2/c1-11-7-5-6-8-12(11)9-10-13-18-15-14(19(13)2)16(22)21(4)17(23)20(15)3/h5-10H,1-4H3/b10-9+
InChIKey VQRXSRBNWHQCKI-MDZDMXLPSA-N
Mol Weight 310.36 g/mol
Molecular Formula C17H18N4O2
Exact Mass 310.142976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAuUyzi3ixK
Name Xanthine, 2,4,7-trimethyl-8-[2-[2-methylphenyl]ethenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 310.142975834 u
Formula C17H18N4O2
InChI InChI=1S/C17H18N4O2/c1-11-7-5-6-8-12(11)9-10-13-18-15-14(19(13)2)16(22)21(4)17(23)20(15)3/h5-10H,1-4H3/b10-9+
InChIKey VQRXSRBNWHQCKI-MDZDMXLPSA-N
Molecular Weight 310.357 g/mol
SMILES C1(N(C(C2=C(N1C)N=C(N2C)\C=C\C1=C(C=CC=C1)C)=O)C)=O