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Succinic acid, 1,1,1-trifluoroprop-2-yl adamant-2-yl ester

View entire compound with spectra: 1 NMR

Succinic acid, 1,1,1-trifluoroprop-2-yl adamant-2-yl ester
SpectraBase Compound ID Do3SRNV4CJE
InChI InChI=1S/C17H23F3O4/c1-9(17(18,19)20)23-14(21)2-3-15(22)24-16-12-5-10-4-11(7-12)8-13(16)6-10/h9-13,16H,2-8H2,1H3/t9?,10-,11+,12-,13+,16?
InChIKey LRMRJPJOMJVPLJ-QIQRXATASA-N
Mol Weight 348.36 g/mol
Molecular Formula C17H23F3O4
Exact Mass 348.154844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1cN7rsUXz9
Name Succinic acid, 1,1,1-trifluoroprop-2-yl adamant-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.154843706 u
Formula C17H23F3O4
InChI InChI=1S/C17H23F3O4/c1-9(17(18,19)20)23-14(21)2-3-15(22)24-16-12-5-10-4-11(7-12)8-13(16)6-10/h9-13,16H,2-8H2,1H3/t9?,10-,11+,12-,13+,16?
InChIKey LRMRJPJOMJVPLJ-QIQRXATASA-N
Molecular Weight 348.362 g/mol
SMILES C(CC(OC(C)C(F)(F)F)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O