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Xanthine, 1,3,7-trimethyl-8-[2-(3,5-difluorophenyl)ethenyl]-

View entire compound with spectra: 1 NMR

Xanthine, 1,3,7-trimethyl-8-[2-(3,5-difluorophenyl)ethenyl]-
SpectraBase Compound ID 55X4eiVfpti
InChI InChI=1S/C16H14F2N4O2/c1-20-12(5-4-9-6-10(17)8-11(18)7-9)19-14-13(20)15(23)22(3)16(24)21(14)2/h4-8H,1-3H3/b5-4+
InChIKey HXJOOEBRESDTBW-SNAWJCMRSA-N
Mol Weight 332.31 g/mol
Molecular Formula C16H14F2N4O2
Exact Mass 332.108482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9QUHMO8iPxr
Name Xanthine, 1,3,7-trimethyl-8-[2-(3,5-difluorophenyl)ethenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 332.108482031 u
Formula C16H14F2N4O2
InChI InChI=1S/C16H14F2N4O2/c1-20-12(5-4-9-6-10(17)8-11(18)7-9)19-14-13(20)15(23)22(3)16(24)21(14)2/h4-8H,1-3H3/b5-4+
InChIKey HXJOOEBRESDTBW-SNAWJCMRSA-N
Molecular Weight 332.311 g/mol
SMILES C1(N(C(C2=C(N1C)N=C(N2C)\C=C\C1=CC(=CC(=C1)F)F)=O)C)=O