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Sebacic acid, decyl 3,5-difluorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 3,5-difluorophenyl ester
SpectraBase Compound ID Bn6RgVUin7K
InChI InChI=1S/C26H40F2O4/c1-2-3-4-5-6-9-12-15-18-31-25(29)16-13-10-7-8-11-14-17-26(30)32-24-20-22(27)19-23(28)21-24/h19-21H,2-18H2,1H3
InChIKey YYULLBWJIGKGAM-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C26H40F2O4
Exact Mass 454.289466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIjlSC8l7Mg
Name Sebacic acid, decyl 3,5-difluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.289466090 u
Formula C26H40F2O4
InChI InChI=1S/C26H40F2O4/c1-2-3-4-5-6-9-12-15-18-31-25(29)16-13-10-7-8-11-14-17-26(30)32-24-20-22(27)19-23(28)21-24/h19-21H,2-18H2,1H3
InChIKey YYULLBWJIGKGAM-UHFFFAOYSA-N
Molecular Weight 454.599 g/mol
SMILES C(CCCCCCC(OC1=CC(=CC(=C1)F)F)=O)CC(OCCCCCCCCCC)=O