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Phthalic acid, isobutyl 2-trifluoromethylbenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isobutyl 2-trifluoromethylbenzyl ester
SpectraBase Compound ID B4PWiCt9Sfe
InChI InChI=1S/C20H19F3O4/c1-13(2)11-26-18(24)15-8-4-5-9-16(15)19(25)27-12-14-7-3-6-10-17(14)20(21,22)23/h3-10,13H,11-12H2,1-2H3
InChIKey YABJYYNOINOOCC-UHFFFAOYSA-N
Mol Weight 380.36 g/mol
Molecular Formula C20H19F3O4
Exact Mass 380.123544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTmYc6t3RN9
Name Phthalic acid, isobutyl 2-trifluoromethylbenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.123543577 u
Formula C20H19F3O4
InChI InChI=1S/C20H19F3O4/c1-13(2)11-26-18(24)15-8-4-5-9-16(15)19(25)27-12-14-7-3-6-10-17(14)20(21,22)23/h3-10,13H,11-12H2,1-2H3
InChIKey YABJYYNOINOOCC-UHFFFAOYSA-N
Molecular Weight 380.363 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=CC=CC1C(F)(F)F)=O)(OCC(C)C)=O