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Phthalic acid, dodecyl 2-fluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 2-fluorophenyl ester
SpectraBase Compound ID 3UALQ1cYI7K
InChI InChI=1S/C26H33FO4/c1-2-3-4-5-6-7-8-9-10-15-20-30-25(28)21-16-11-12-17-22(21)26(29)31-24-19-14-13-18-23(24)27/h11-14,16-19H,2-10,15,20H2,1H3
InChIKey YHUVKDPHDYBCBI-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 B49mYU5x7YI
Name Phthalic acid, dodecyl 2-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.236287702 u
Formula C26H33FO4
InChI InChI=1S/C26H33FO4/c1-2-3-4-5-6-7-8-9-10-15-20-30-25(28)21-16-11-12-17-22(21)26(29)31-24-19-14-13-18-23(24)27/h11-14,16-19H,2-10,15,20H2,1H3
InChIKey YHUVKDPHDYBCBI-UHFFFAOYSA-N
Molecular Weight 428.544 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCC)=O)C(OC1=CC=CC=C1F)=O