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(1R,6R,9R)-9-[ (R)-.alpha.-Methoxy-.alpha.-trifluoromethylphenylacetoxy]-7-oxabicyclo[4.3.0]non-4-en-8-one
SpectraBase Compound ID CrdwzmvAzva
InChI InChI=1S/C18H17F3O5/c1-24-17(18(19,20)21,11-7-3-2-4-8-11)16(23)26-14-12-9-5-6-10-13(12)25-15(14)22/h2-4,6-8,10,12-14H,5,9H2,1H3/t12-,13-,14-,17-/m1/s1
InChIKey OEXGWKKQQKGMSM-VMUDFCTBSA-N
Mol Weight 370.32 g/mol
Molecular Formula C18H17F3O5
Exact Mass 370.102808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7559cXJ1Ex
Name (1R,6R,9R)-9-[ (R)-.alpha.-Methoxy-.alpha.-trifluoromethylphenylacetoxy]-7-oxabicyclo[4.3.0]non-4-en-8-one
Alternate Name(s) (3R,3aR,7aR)-2-oxo-2,3,3a,4,5,7a-hexahydro-1-benzofuran-3-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
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Formula C18H17F3O5
InChI InChI=1S/C18H17F3O5/c1-24-17(18(19,20)21,11-7-3-2-4-8-11)16(23)26-14-12-9-5-6-10-13(12)25-15(14)22/h2-4,6-8,10,12-14H,5,9H2,1H3/t12-,13-,14-,17-/m1/s1
InChIKey OEXGWKKQQKGMSM-VMUDFCTBSA-N
Molecular Weight 370.324 g/mol
SMILES [C@@](C(O[C@]1(C(O[C@]2([C@]1(CCC=C2)[H])[H])=O)[H])=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-000i-0900000000-d37ee6b1ced9a3061d72
Source of Spectrum SB-49-125-8
Wiley ID 1354108