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Succinic acid, hexadecyl 2-(trifluoromethyl)benzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, hexadecyl 2-(trifluoromethyl)benzyl ester
SpectraBase Compound ID 2ojIzste9pI
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-34-26(32)20-21-27(33)35-23-24-18-15-16-19-25(24)28(29,30)31/h15-16,18-19H,2-14,17,20-23H2,1H3
InChIKey MJHAMEOSXXTYKK-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C28H43F3O4
Exact Mass 500.311344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CKfsCt0O7w
Name Succinic acid, hexadecyl 2-(trifluoromethyl)benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.311344350 u
Formula C28H43F3O4
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-34-26(32)20-21-27(33)35-23-24-18-15-16-19-25(24)28(29,30)31/h15-16,18-19H,2-14,17,20-23H2,1H3
InChIKey MJHAMEOSXXTYKK-UHFFFAOYSA-N
Molecular Weight 500.643 g/mol
SMILES C(CCC(OCC1=CC=CC=C1C(F)(F)F)=O)(OCCCCCCCCCCCCCCCC)=O