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Terephthalic acid, 2-fluorophenethyl octyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-fluorophenethyl octyl ester
SpectraBase Compound ID CoAh61VipEk
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-9-17-28-23(26)20-12-14-21(15-13-20)24(27)29-18-16-19-10-7-8-11-22(19)25/h7-8,10-15H,2-6,9,16-18H2,1H3
InChIKey IOJRZJMDNLOFGW-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 4zunGchBQji
Name Terephthalic acid, 2-fluorophenethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.204987573 u
Formula C24H29FO4
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-9-17-28-23(26)20-12-14-21(15-13-20)24(27)29-18-16-19-10-7-8-11-22(19)25/h7-8,10-15H,2-6,9,16-18H2,1H3
InChIKey IOJRZJMDNLOFGW-UHFFFAOYSA-N
Molecular Weight 400.490 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCC)=O)C(=O)OCCC1=C(C=CC=C1)F