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Succinic acid, dodecyl 1-phenyl-2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

Succinic acid, dodecyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID Bw1BWbdX49p
InChI InChI=1S/C24H35F3O4/c1-2-3-4-5-6-7-8-9-10-14-19-30-21(28)17-18-22(29)31-23(24(25,26)27)20-15-12-11-13-16-20/h11-13,15-16,23H,2-10,14,17-19H2,1H3
InChIKey JXNCDKLWKWQWJF-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C24H35F3O4
Exact Mass 444.248744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6R6pMSoptw
Name Succinic acid, dodecyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.248744092 u
Formula C24H35F3O4
InChI InChI=1S/C24H35F3O4/c1-2-3-4-5-6-7-8-9-10-14-19-30-21(28)17-18-22(29)31-23(24(25,26)27)20-15-12-11-13-16-20/h11-13,15-16,23H,2-10,14,17-19H2,1H3
InChIKey JXNCDKLWKWQWJF-UHFFFAOYSA-N
Molecular Weight 444.535 g/mol
SMILES C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCCCCCCC)=O