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Succinic acid, dodecyl 2,2,2-trifluoroethyl ester
SpectraBase Compound ID KXIrYPpiazU
InChI InChI=1S/C18H31F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16(22)12-13-17(23)25-15-18(19,20)21/h2-15H2,1H3
InChIKey VBBZKOOROOBMCB-UHFFFAOYSA-N
Mol Weight 368.44 g/mol
Molecular Formula C18H31F3O4
Exact Mass 368.217444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9KQOrNIMEZ
Name Succinic acid, dodecyl 2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.217443963 u
Formula C18H31F3O4
InChI InChI=1S/C18H31F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16(22)12-13-17(23)25-15-18(19,20)21/h2-15H2,1H3
InChIKey VBBZKOOROOBMCB-UHFFFAOYSA-N
Molecular Weight 368.437 g/mol
SMILES C(OCC(F)(F)F)(=O)CCC(OCCCCCCCCCCCC)=O