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

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Glutaric acid, 2,4,5-trifluorobenzyl octadecyl ester
SpectraBase Compound ID FO6tBGJD0Pc
InChI InChI=1S/C30H47F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-29(34)19-18-20-30(35)37-24-25-22-27(32)28(33)23-26(25)31/h22-23H,2-21,24H2,1H3
InChIKey DGOWYIMBLYVUIQ-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C30H47F3O4
Exact Mass 528.342644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71CfKrVrklG
Name Glutaric acid, 2,4,5-trifluorobenzyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 528.342644478 u
Formula C30H47F3O4
InChI InChI=1S/C30H47F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-29(34)19-18-20-30(35)37-24-25-22-27(32)28(33)23-26(25)31/h22-23H,2-21,24H2,1H3
InChIKey DGOWYIMBLYVUIQ-UHFFFAOYSA-N
Molecular Weight 528.697 g/mol
SMILES C(CCCCCCCCCCCCCCCCOC(CCCC(OCC1=CC(=C(C=C1F)F)F)=O)=O)C