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Isophthalic acid, dodecyl 2-fluorophenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, dodecyl 2-fluorophenyl ester
SpectraBase Compound ID DUkQNh9XhRF
InChI InChI=1S/C26H33FO4/c1-2-3-4-5-6-7-8-9-10-13-19-30-25(28)21-15-14-16-22(20-21)26(29)31-24-18-12-11-17-23(24)27/h11-12,14-18,20H,2-10,13,19H2,1H3
InChIKey DZEPRPSHLQHKBN-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 KOphbgi4N7D
Name Isophthalic 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/c1-2-3-4-5-6-7-8-9-10-13-19-30-25(28)21-15-14-16-22(20-21)26(29)31-24-18-12-11-17-23(24)27/h11-12,14-18,20H,2-10,13,19H2,1H3
InChIKey DZEPRPSHLQHKBN-UHFFFAOYSA-N
Molecular Weight 428.544 g/mol
SMILES C1(=CC(=CC=C1)C(OC1=C(C=CC=C1)F)=O)C(OCCCCCCCCCCCC)=O