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Ethyl 8-trifluoromethyl-9,10-dioxatricyclo[4.3.0.1(2,8)]decane-7-carboxylate isomer
SpectraBase Compound ID 3EOQeyu7gLL
InChI InChI=1S/C12H15F3O4/c1-2-17-10(16)8-6-4-3-5-7-9(6)19-11(8,18-7)12(13,14)15/h6-9H,2-5H2,1H3/t6-,7-,8?,9-,11-/m0/s1
InChIKey OBYAKZMSZWBYSP-RDLXCJPZSA-N
Mol Weight 280.24 g/mol
Molecular Formula C12H15F3O4
Exact Mass 280.092243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tpX6IDrIQp
Name Ethyl 8-trifluoromethyl-9,10-dioxatricyclo[4.3.0.1(2,8)]decane-7-carboxylate isomer
Alternate Name(s) (1S,3S,7S,8S)-1-Trifluoromethyl-2,9-dioxa-tricyclo[5.2.1.0*3,8*]decane-10-carboxylic acid ethyl ester Ethyl 1-(trifluoromethyl)-2,9-dioxatricyclo[5.2.1.0(3,8)]decane-10-carboxylate
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Formula C12H15F3O4
InChI InChI=1S/C12H15F3O4/c1-2-17-10(16)8-6-4-3-5-7-9(6)19-11(8,18-7)12(13,14)15/h6-9H,2-5H2,1H3/t6-,7-,8?,9-,11-/m0/s1
InChIKey OBYAKZMSZWBYSP-RDLXCJPZSA-N
Molecular Weight 280.243 g/mol
SMILES [C@@]12(C([C@@]3(CCC[C@@](O2)([H])[C@]3(O1)[H])[H])C(=O)OCC)C(F)(F)F
SPLASH splash10-03kc-0910000000-c27314e402e5998139c2
Source of Spectrum KC-0-2790-3
Wiley ID 780072