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Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester
SpectraBase Compound ID HL7ghFb7abC
InChI InChI=1S/C19H25F3O4/c1-4-7-12-25-16(23)18(5-2,6-3)17(24)26-13-14-8-10-15(11-9-14)19(20,21)22/h8-11H,4-7,12-13H2,1-3H3
InChIKey KRROYZMYKLBHTH-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C19H25F3O4
Exact Mass 374.170494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4S2lA6KhNNa
Name Diethylmalonic acid, butyl 4-trifluoromethylbenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.170493770 u
Formula C19H25F3O4
InChI InChI=1S/C19H25F3O4/c1-4-7-12-25-16(23)18(5-2,6-3)17(24)26-13-14-8-10-15(11-9-14)19(20,21)22/h8-11H,4-7,12-13H2,1-3H3
InChIKey KRROYZMYKLBHTH-UHFFFAOYSA-N
Molecular Weight 374.400 g/mol
SMILES CCC(C(OCCCC)=O)(C(OCC1=CC=C(C=C1)C(F)(F)F)=O)CC