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

View entire compound with spectra: 1 NMR

Succinic acid, 1-phenyl-2,2,2-trifluoroethyl tridecyl ester
SpectraBase Compound ID L2AMq9kmndh
InChI InChI=1S/C25H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-15-20-31-22(29)18-19-23(30)32-24(25(26,27)28)21-16-13-12-14-17-21/h12-14,16-17,24H,2-11,15,18-20H2,1H3
InChIKey CXZQMQMAWHSLHF-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C25H37F3O4
Exact Mass 458.264394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JP9KYKxwg8G
Name Succinic acid, 1-phenyl-2,2,2-trifluoroethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.264394156 u
Formula C25H37F3O4
InChI InChI=1S/C25H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-15-20-31-22(29)18-19-23(30)32-24(25(26,27)28)21-16-13-12-14-17-21/h12-14,16-17,24H,2-11,15,18-20H2,1H3
InChIKey CXZQMQMAWHSLHF-UHFFFAOYSA-N
Molecular Weight 458.562 g/mol
SMILES C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCCCCCCCC)=O