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9-(Teytrahydropyran-2'-yl)-6-(trifluoromethyl)purine
SpectraBase Compound ID EDwW9KFEAF9
InChI InChI=1S/C11H11F3N4O/c12-11(13,14)9-8-10(16-5-15-9)18(6-17-8)7-3-1-2-4-19-7/h5-7H,1-4H2
InChIKey ZCWPPKMPYUKDLG-UHFFFAOYSA-N
Mol Weight 272.23 g/mol
Molecular Formula C11H11F3N4O
Exact Mass 272.088495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0f3R9DgVxK
Name 9-(Teytrahydropyran-2'-yl)-6-(trifluoromethyl)purine
Comments Computed using HOSE algorithm
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Exact Mass 272.088495478 u
Formula C11H11F3N4O
InChI InChI=1S/C11H11F3N4O/c12-11(13,14)9-8-10(16-5-15-9)18(6-17-8)7-3-1-2-4-19-7/h5-7H,1-4H2
InChIKey ZCWPPKMPYUKDLG-UHFFFAOYSA-N
Molecular Weight 272.231 g/mol
SMILES C=12N(C=NC2=C(C(F)(F)F)N=CN1)C1OCCCC1