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Glutaric acid, 2,4,5-trifluorobenzyl hexadecyl ester

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Glutaric acid, 2,4,5-trifluorobenzyl hexadecyl ester
SpectraBase Compound ID 9bSZJe6Mhu8
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-34-27(32)17-16-18-28(33)35-22-23-20-25(30)26(31)21-24(23)29/h20-21H,2-19,22H2,1H3
InChIKey UXJHZAMBGKFRNY-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 BzLwoNMdd9v
Name Glutaric acid, 2,4,5-trifluorobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.311344350 u
Formula C28H43F3O4
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-34-27(32)17-16-18-28(33)35-22-23-20-25(30)26(31)21-24(23)29/h20-21H,2-19,22H2,1H3
InChIKey UXJHZAMBGKFRNY-UHFFFAOYSA-N
Molecular Weight 500.643 g/mol
SMILES C(C1=CC(=C(C=C1F)F)F)OC(=O)CCCC(OCCCCCCCCCCCCCCCC)=O