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Dyphylline bis-pentafluoropropanoate

View entire compound with spectra: 1 NMR

Dyphylline bis-pentafluoropropanoate
SpectraBase Compound ID 8wuLhbeBbcS
InChI InChI=1S/C16H12F10N4O6/c1-28-8-7(9(31)29(2)12(28)34)30(5-27-8)3-6(36-11(33)14(19,20)16(24,25)26)4-35-10(32)13(17,18)15(21,22)23/h5-6H,3-4H2,1-2H3
InChIKey SBFOXGYXZLXLPN-UHFFFAOYSA-N
Mol Weight 546.28 g/mol
Molecular Formula C16H12F10N4O6
Exact Mass 546.059716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhVXWNSSeBu
Name Dyphylline bis-pentafluoropropanoate
Comments Computed using HOSE algorithm
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Exact Mass 546.059715746 u
Formula C16H12F10N4O6
InChI InChI=1S/C16H12F10N4O6/c1-28-8-7(9(31)29(2)12(28)34)30(5-27-8)3-6(36-11(33)14(19,20)16(24,25)26)4-35-10(32)13(17,18)15(21,22)23/h5-6H,3-4H2,1-2H3
InChIKey SBFOXGYXZLXLPN-UHFFFAOYSA-N
Molecular Weight 546.278 g/mol
SMILES CN1C=2N=CN(C2C(N(C1=O)C)=O)CC(OC(C(F)(C(F)(F)F)F)=O)COC(=O)C(F)(C(F)(F)F)F