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Succinic acid, decyl 2-(trifluoromethyl)benzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, decyl 2-(trifluoromethyl)benzyl ester
SpectraBase Compound ID LWHNoTCCZ7m
InChI InChI=1S/C22H31F3O4/c1-2-3-4-5-6-7-8-11-16-28-20(26)14-15-21(27)29-17-18-12-9-10-13-19(18)22(23,24)25/h9-10,12-13H,2-8,11,14-17H2,1H3
InChIKey MXOSDOGPDMGONS-UHFFFAOYSA-N
Mol Weight 416.48 g/mol
Molecular Formula C22H31F3O4
Exact Mass 416.217444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9C5MjKW6yt6
Name Succinic acid, decyl 2-(trifluoromethyl)benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.217443963 u
Formula C22H31F3O4
InChI InChI=1S/C22H31F3O4/c1-2-3-4-5-6-7-8-11-16-28-20(26)14-15-21(27)29-17-18-12-9-10-13-19(18)22(23,24)25/h9-10,12-13H,2-8,11,14-17H2,1H3
InChIKey MXOSDOGPDMGONS-UHFFFAOYSA-N
Molecular Weight 416.481 g/mol
SMILES C(CCC(OCC1=CC=CC=C1C(F)(F)F)=O)(OCCCCCCCCCC)=O