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Adipic acid, 3,5-difluorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 3,5-difluorophenyl heptadecyl ester
SpectraBase Compound ID 6HrPro3AKpP
InChI InChI=1S/C29H46F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-28(32)19-16-17-20-29(33)35-27-23-25(30)22-26(31)24-27/h22-24H,2-21H2,1H3
InChIKey ZCNATMHZABAWMO-UHFFFAOYSA-N
Mol Weight 496.7 g/mol
Molecular Formula C29H46F2O4
Exact Mass 496.336416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CO2C4MwToWO
Name Adipic acid, 3,5-difluorophenyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.336416283 u
Formula C29H46F2O4
InChI InChI=1S/C29H46F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-28(32)19-16-17-20-29(33)35-27-23-25(30)22-26(31)24-27/h22-24H,2-21H2,1H3
InChIKey ZCNATMHZABAWMO-UHFFFAOYSA-N
Molecular Weight 496.680 g/mol
SMILES C(CCCC(=O)OC1=CC(=CC(=C1)F)F)C(OCCCCCCCCCCCCCCCCC)=O