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Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl hexadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl hexadecyl ester
SpectraBase Compound ID I6BPoK8Ia1q
InChI InChI=1S/C28H42F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-35-26(33)19-20-27(34)36-22-23-24(28(30,31)32)17-16-18-25(23)29/h16-18H,2-15,19-22H2,1H3
InChIKey PXXNUWAXWWHFQQ-UHFFFAOYSA-N
Mol Weight 518.6 g/mol
Molecular Formula C28H42F4O4
Exact Mass 518.301922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyTfwTrkCaI
Name Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 518.301922480 u
Formula C28H42F4O4
InChI InChI=1S/C28H42F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-35-26(33)19-20-27(34)36-22-23-24(28(30,31)32)17-16-18-25(23)29/h16-18H,2-15,19-22H2,1H3
InChIKey PXXNUWAXWWHFQQ-UHFFFAOYSA-N
Molecular Weight 518.634 g/mol
SMILES C(CCC(OCC1=C(C=CC=C1C(F)(F)F)F)=O)(OCCCCCCCCCCCCCCCC)=O