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Terephthalic acid, decyl 4-fluorophenethyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, decyl 4-fluorophenethyl ester
SpectraBase Compound ID BZoJvaGN5Qk
InChI InChI=1S/C26H33FO4/c1-2-3-4-5-6-7-8-9-19-30-25(28)22-12-14-23(15-13-22)26(29)31-20-18-21-10-16-24(27)17-11-21/h10-17H,2-9,18-20H2,1H3
InChIKey KXTCFHCOCPKBDE-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C26H33FO4
Exact Mass 428.236288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XCIidhkwTh
Name Terephthalic acid, decyl 4-fluorophenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.236287702 u
Formula C26H33FO4
InChI InChI=1S/C26H33FO4/c1-2-3-4-5-6-7-8-9-19-30-25(28)22-12-14-23(15-13-22)26(29)31-20-18-21-10-16-24(27)17-11-21/h10-17H,2-9,18-20H2,1H3
InChIKey KXTCFHCOCPKBDE-UHFFFAOYSA-N
Molecular Weight 428.544 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCC)=O)C(=O)OCCC1=CC=C(C=C1)F