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(anti)-5-(Trifluoromethyl)-3,8-dioxatricyclo[5.1.0.0(2,4)]oct-5-ene-4-carboxylate
SpectraBase Compound ID 5dbCQY7QD0O
InChI InChI=1S/C9H7F3O4/c1-14-7(13)8-4(9(10,11)12)2-3-5(15-3)6(8)16-8/h2-3,5-6H,1H3/t3-,5-,6+,8-/m1/s1
InChIKey VXKGKLIAHDTSTQ-YQHTUYAKSA-N
Mol Weight 236.15 g/mol
Molecular Formula C9H7F3O4
Exact Mass 236.029643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KROlAeOwAq
Name (anti)-5-(Trifluoromethyl)-3,8-dioxatricyclo[5.1.0.0(2,4)]oct-5-ene-4-carboxylate
Alternate Name(s) (1R,2S,4R,7R)-methyl 5-(trifluoromethyl)-3,8-dioxatricyclo[5.1.0.0(2,4)]oct-5-ene-4-carboxylate
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Formula C9H7F3O4
InChI InChI=1S/C9H7F3O4/c1-14-7(13)8-4(9(10,11)12)2-3-5(15-3)6(8)16-8/h2-3,5-6H,1H3/t3-,5-,6+,8-/m1/s1
InChIKey VXKGKLIAHDTSTQ-YQHTUYAKSA-N
Molecular Weight 236.146 g/mol
SMILES [C@@]12(C(=C[C@@]3([C@]([C@@]2(O1)[H])(O3)[H])[H])C(F)(F)F)C(=O)OC
SPLASH splash10-052g-9430000000-fd0b9ca65db0ebb72d22
Source of Spectrum F5-6-1259-10-anti
Wiley ID 1733393