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Estra-1,4-diene-3,17-dione, 10,16.alpha.-difluoro-
SpectraBase Compound ID 7rvk2U0SeDD
InChI InChI=1S/C18H20F2O2/c1-17-6-5-13-12(14(17)9-15(19)16(17)22)3-2-10-8-11(21)4-7-18(10,13)20/h4,7-8,12-15H,2-3,5-6,9H2,1H3
InChIKey TWUMOFNQTZAQEO-UHFFFAOYSA-N
Mol Weight 306.35 g/mol
Molecular Formula C18H20F2O2
Exact Mass 306.143136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YQylF70fye
Name Estra-1,4-diene-3,17-dione, 10,16.alpha.-difluoro-
Comments Computed using HOSE algorithm
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Exact Mass 306.143136208 u
Formula C18H20F2O2
InChI InChI=1S/C18H20F2O2/c1-17-6-5-13-12(14(17)9-15(19)16(17)22)3-2-10-8-11(21)4-7-18(10,13)20/h4,7-8,12-15H,2-3,5-6,9H2,1H3
InChIKey TWUMOFNQTZAQEO-UHFFFAOYSA-N
Molecular Weight 306.353 g/mol
SMILES C1(C=C[C@]2(C(=C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(C[C@](C2=O)(F)[H])[H])C)[H])[H])F)=O