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Succinic acid, nonyl 2-(trifluoromethyl)benzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, nonyl 2-(trifluoromethyl)benzyl ester
SpectraBase Compound ID L37Z38RSt6b
InChI InChI=1S/C21H29F3O4/c1-2-3-4-5-6-7-10-15-27-19(25)13-14-20(26)28-16-17-11-8-9-12-18(17)21(22,23)24/h8-9,11-12H,2-7,10,13-16H2,1H3
InChIKey LJGFZZTWFAHUKD-UHFFFAOYSA-N
Mol Weight 402.45 g/mol
Molecular Formula C21H29F3O4
Exact Mass 402.201794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fMzt8oPW36
Name Succinic acid, nonyl 2-(trifluoromethyl)benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.201793899 u
Formula C21H29F3O4
InChI InChI=1S/C21H29F3O4/c1-2-3-4-5-6-7-10-15-27-19(25)13-14-20(26)28-16-17-11-8-9-12-18(17)21(22,23)24/h8-9,11-12H,2-7,10,13-16H2,1H3
InChIKey LJGFZZTWFAHUKD-UHFFFAOYSA-N
Molecular Weight 402.454 g/mol
SMILES C(CCC(OCC1=CC=CC=C1C(F)(F)F)=O)(OCCCCCCCCC)=O