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Succinic acid, 1-phenyl-2,2,2-trifluoroethyl undecyl ester
SpectraBase Compound ID GNbKSMU1mE1
InChI InChI=1S/C23H33F3O4/c1-2-3-4-5-6-7-8-9-13-18-29-20(27)16-17-21(28)30-22(23(24,25)26)19-14-11-10-12-15-19/h10-12,14-15,22H,2-9,13,16-18H2,1H3
InChIKey HKOYFJMDSHJFHF-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C23H33F3O4
Exact Mass 430.233094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F890UcVsFHk
Name Succinic acid, 1-phenyl-2,2,2-trifluoroethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.233094028 u
Formula C23H33F3O4
InChI InChI=1S/C23H33F3O4/c1-2-3-4-5-6-7-8-9-13-18-29-20(27)16-17-21(28)30-22(23(24,25)26)19-14-11-10-12-15-19/h10-12,14-15,22H,2-9,13,16-18H2,1H3
InChIKey HKOYFJMDSHJFHF-UHFFFAOYSA-N
Molecular Weight 430.508 g/mol
SMILES C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCCCCCC)=O