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

View entire compound with spectra: 1 NMR

Succinic acid, pentadecyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID PTvutWiVhB
InChI InChI=1S/C27H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-33-24(31)20-21-25(32)34-26(27(28,29)30)23-18-15-14-16-19-23/h14-16,18-19,26H,2-13,17,20-22H2,1H3
InChIKey BBQXSVDIGGSPFG-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C27H41F3O4
Exact Mass 486.295694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4IXBvF9524a
Name Succinic acid, pentadecyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.295694285 u
Formula C27H41F3O4
InChI InChI=1S/C27H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-33-24(31)20-21-25(32)34-26(27(28,29)30)23-18-15-14-16-19-23/h14-16,18-19,26H,2-13,17,20-22H2,1H3
InChIKey BBQXSVDIGGSPFG-UHFFFAOYSA-N
Molecular Weight 486.616 g/mol
SMILES C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCCCCCCCCCC)=O