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Methyl 7-(trifluoromethyl)-2-oxo-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-3a-carboxylate
SpectraBase Compound ID 5Ew5ymRipTB
InChI InChI=1S/C14H11F3O4/c1-20-12(19)13-5-7-2-3-8(14(15,16)17)4-9(7)11(13)21-10(18)6-13/h2-4,11H,5-6H2,1H3/t11-,13+/m1/s1
InChIKey XJCUXRBHFOCJAJ-YPMHNXCESA-N
Mol Weight 300.23 g/mol
Molecular Formula C14H11F3O4
Exact Mass 300.060943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Uh4krweOqu
Name Methyl 7-(trifluoromethyl)-2-oxo-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-3a-carboxylate
Alternate Name(s) (3aS,8bR)-methyl 2-oxo-7-(trifluoromethyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-3a-carboxylate (3aS,8bR)-2-oxo-7-(trifluoromethyl)-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylic acid methyl ester Methyl (3aS,8bR)-2-oxo-7-(trifluoromethyl)-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate Methyl (3aS,8bR)-2-oxidanylidene-7-(trifluoromethyl)-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate
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Formula C14H11F3O4
InChI InChI=1S/C14H11F3O4/c1-20-12(19)13-5-7-2-3-8(14(15,16)17)4-9(7)11(13)21-10(18)6-13/h2-4,11H,5-6H2,1H3/t11-,13+/m1/s1
InChIKey XJCUXRBHFOCJAJ-YPMHNXCESA-N
Literature Reference DOI 10.1002/adsc.201100916
Molecular Weight 300.233 g/mol
SMILES c1c2[C@]3(OC(C[C@@]3(C(OC)=O)Cc2ccc1C(F)(F)F)=O)[H]
SPLASH splash10-0a4i-1590000000-082ef80e7edf528d3cd9
Source of Spectrum ASC-354-823/SM7-3i
Wiley ID 1762997