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Sebacic acid, pentadecyl 1-phenyl-2,2,2-trifluoromethylethyl ester

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Sebacic acid, pentadecyl 1-phenyl-2,2,2-trifluoromethylethyl ester
SpectraBase Compound ID JU95ldKgowP
InChI InChI=1S/C33H53F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-28-39-30(37)26-21-15-12-13-16-22-27-31(38)40-32(33(34,35)36)29-24-19-18-20-25-29/h18-20,24-25,32H,2-17,21-23,26-28H2,1H3
InChIKey VWSDPZVYLPTGPL-UHFFFAOYSA-N
Mol Weight 570.8 g/mol
Molecular Formula C33H53F3O4
Exact Mass 570.389595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNY2rVT0ckE
Name Sebacic acid, pentadecyl 1-phenyl-2,2,2-trifluoromethylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 570.389594672 u
Formula C33H53F3O4
InChI InChI=1S/C33H53F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-28-39-30(37)26-21-15-12-13-16-22-27-31(38)40-32(33(34,35)36)29-24-19-18-20-25-29/h18-20,24-25,32H,2-17,21-23,26-28H2,1H3
InChIKey VWSDPZVYLPTGPL-UHFFFAOYSA-N
Molecular Weight 570.778 g/mol
SMILES C(CCCCCCCC(OC(C1=CC=CC=C1)C(F)(F)F)=O)C(OCCCCCCCCCCCCCCC)=O