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Glutaric acid, 1-(2,6-difluorophenyl)ethyl hexadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1-(2,6-difluorophenyl)ethyl hexadecyl ester
SpectraBase Compound ID ZvNsEY1jdh
InChI InChI=1S/C29H46F2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-34-27(32)21-18-22-28(33)35-24(2)29-25(30)19-17-20-26(29)31/h17,19-20,24H,3-16,18,21-23H2,1-2H3
InChIKey UUPBAIDEASSMDB-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 LquBF6dMSL8
Name Glutaric acid, 1-(2,6-difluorophenyl)ethyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.336416283 u
Formula C29H46F2O4
InChI InChI=1S/C29H46F2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-34-27(32)21-18-22-28(33)35-24(2)29-25(30)19-17-20-26(29)31/h17,19-20,24H,3-16,18,21-23H2,1-2H3
InChIKey UUPBAIDEASSMDB-UHFFFAOYSA-N
Molecular Weight 496.680 g/mol
SMILES C(OC(C)C1=C(C=CC=C1F)F)(=O)CCCC(OCCCCCCCCCCCCCCCC)=O