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Glutaric acid, adamant-2-yl 2,2,3,3-tetrafluoropropyl ester
SpectraBase Compound ID BICAxGDNqGh
InChI InChI=1S/C18H24F4O4/c19-17(20)18(21,22)9-25-14(23)2-1-3-15(24)26-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-13,16-17H,1-9H2/t10-,11+,12-,13+,16?
InChIKey XQPZZOKBPKQUPX-KZAAHDRASA-N
Mol Weight 380.38 g/mol
Molecular Formula C18H24F4O4
Exact Mass 380.161072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4VZOQ5thUg4
Name Glutaric acid, adamant-2-yl 2,2,3,3-tetrafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.161071901 u
Formula C18H24F4O4
InChI InChI=1S/C18H24F4O4/c19-17(20)18(21,22)9-25-14(23)2-1-3-15(24)26-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-13,16-17H,1-9H2/t10-,11+,12-,13+,16?
InChIKey XQPZZOKBPKQUPX-KZAAHDRASA-N
Molecular Weight 380.380 g/mol
SMILES C(CCC(OCC(C(F)F)(F)F)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O