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Methyl 3-(4-methoxybenzyl)-5-oxo-2-(4-(trifluoromethyl)phenyl)tetrahydrofuran-3-carboxylate
SpectraBase Compound ID IZrhVnAjaCI
InChI InChI=1S/C21H19F3O5/c1-27-16-9-3-13(4-10-16)11-20(19(26)28-2)12-17(25)29-18(20)14-5-7-15(8-6-14)21(22,23)24/h3-10,18H,11-12H2,1-2H3
InChIKey QBHOSUNKLBANFW-UHFFFAOYSA-N
Mol Weight 408.37 g/mol
Molecular Formula C21H19F3O5
Exact Mass 408.118458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2mjAxfQtmH
Name Methyl 3-(4-methoxybenzyl)-5-oxo-2-(4-(trifluoromethyl)phenyl)tetrahydrofuran-3-carboxylate
Alternate Name(s) 3-[(4-methoxyphenyl)methyl]-5-oxo-2-[4-(trifluoromethyl)phenyl]-3-oxolanecarboxylic acid methyl ester Methyl 3-[(4-methoxyphenyl)methyl]-5-oxo-2-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylate Methyl 3-[(4-methoxyphenyl)methyl]-5-oxo-2-[4-(trifluoromethyl)phenyl]tetrahydrofuran-3-carboxylate Methyl 3-[(4-methoxyphenyl)methyl]-5-oxidanylidene-2-[4-(trifluoromethyl)phenyl]oxolane-3-carboxylate
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Formula C21H19F3O5
InChI InChI=1S/C21H19F3O5/c1-27-16-9-3-13(4-10-16)11-20(19(26)28-2)12-17(25)29-18(20)14-5-7-15(8-6-14)21(22,23)24/h3-10,18H,11-12H2,1-2H3
InChIKey QBHOSUNKLBANFW-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2014.10.074
Molecular Weight 408.373 g/mol
SMILES C(c1ccc(cc1)OC)C1(C(OC(=O)C1)c1ccc(cc1)C(F)(F)F)C(OC)=O
SPLASH splash10-00di-1900100000-da85520e443779572c2e
Source of Spectrum EMC-89-664-4l
Wiley ID 1755220