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Terephthalic acid, 4-fluorophenethyl octyl ester

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Terephthalic acid, 4-fluorophenethyl octyl ester
SpectraBase Compound ID 6Yk6dDApQ6Z
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-7-17-28-23(26)20-10-12-21(13-11-20)24(27)29-18-16-19-8-14-22(25)15-9-19/h8-15H,2-7,16-18H2,1H3
InChIKey KOENKSMOAUCOMA-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C24H29FO4
Exact Mass 400.204988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOP08NVMaFf
Name Terephthalic acid, 4-fluorophenethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.204987573 u
Formula C24H29FO4
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-7-17-28-23(26)20-10-12-21(13-11-20)24(27)29-18-16-19-8-14-22(25)15-9-19/h8-15H,2-7,16-18H2,1H3
InChIKey KOENKSMOAUCOMA-UHFFFAOYSA-N
Molecular Weight 400.490 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCC)=O)C(=O)OCCC1=CC=C(C=C1)F