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Benzaldehyde methyl 2-(methoxycarbonyl)-4-methyl-3-trifluoroacetoxybicyclo[2.2.2]octanyl acetal
SpectraBase Compound ID L87IcD33mVs
InChI InChI=1S/C21H25F3O6/c1-19-9-11-20(12-10-19,30-17(28-3)13-7-5-4-6-8-13)14(16(25)27-2)15(19)29-18(26)21(22,23)24/h4-8,14-15,17H,9-12H2,1-3H3
InChIKey KZXKLHGDWCTKJA-UHFFFAOYSA-N
Mol Weight 430.42 g/mol
Molecular Formula C21H25F3O6
Exact Mass 430.160323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EydQNSICIup
Name Benzaldehyde methyl 2-(methoxycarbonyl)-4-methyl-3-trifluoroacetoxybicyclo[2.2.2]octanyl acetal
Alternate Name(s) 1-(Methoxy-phenyl-methoxy)-4-methyl-3-(2,2,2-trifluoro-acetoxy)-bicyclo[2.2.2]octane-2-carboxylic acid methyl ester methyl 1-[methoxy(phenyl)methoxy]-4-methyl-3-[(trifluoroacetyl)oxy]bicyclo[2.2.2]octane-2-carboxylate 4-[methoxy(phenyl)methoxy]-1-methyl-2-(2,2,2-trifluoro-1-oxoethoxy)-3-bicyclo[2.2.2]octanecarboxylic acid methyl ester methyl 4-[methoxy(phenyl)methoxy]-1-methyl-2-(2,2,2-trifluoroacetyl)oxybicyclo[2.2.2]octane-3-carboxylate methyl 4-[methoxy(phenyl)methoxy]-1-methyl-2-(2,2,2-trifluoroacetyl)oxy-bicyclo[2.2.2]octane-3-carboxylate methyl 4-[methoxy(phenyl)methoxy]-1-methyl-2-[2,2,2-tris(fluoranyl)ethanoyloxy]bicyclo[2.2.2]octane-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H25F3O6
InChI InChI=1S/C21H25F3O6/c1-19-9-11-20(12-10-19,30-17(28-3)13-7-5-4-6-8-13)14(16(25)27-2)15(19)29-18(26)21(22,23)24/h4-8,14-15,17H,9-12H2,1-3H3
InChIKey KZXKLHGDWCTKJA-UHFFFAOYSA-N
Molecular Weight 430.420 g/mol
SMILES C12(C(C(OC(C(F)(F)F)=O)C(CC2)(C)CC1)C(=O)OC)OC(c1ccccc1)OC
SPLASH splash10-03fr-0069000000-d7b8b6009a2f2a4ce157
Source of Spectrum KC-0-1089-26
Wiley ID 822333