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Isophthalic acid, 2-fluorophenyl isohexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-fluorophenyl isohexyl ester
SpectraBase Compound ID Lo8eqI6C5Rz
InChI InChI=1S/C20H21FO4/c1-14(2)7-6-12-24-19(22)15-8-5-9-16(13-15)20(23)25-18-11-4-3-10-17(18)21/h3-5,8-11,13-14H,6-7,12H2,1-2H3
InChIKey ZNHVEESLOURTTP-UHFFFAOYSA-N
Mol Weight 344.38 g/mol
Molecular Formula C20H21FO4
Exact Mass 344.142387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QSLsPUGMEy
Name Isophthalic acid, 2-fluorophenyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 344.142387315 u
Formula C20H21FO4
InChI InChI=1S/C20H21FO4/c1-14(2)7-6-12-24-19(22)15-8-5-9-16(13-15)20(23)25-18-11-4-3-10-17(18)21/h3-5,8-11,13-14H,6-7,12H2,1-2H3
InChIKey ZNHVEESLOURTTP-UHFFFAOYSA-N
Molecular Weight 344.382 g/mol
SMILES C1(=CC(=CC=C1)C(OC1=C(C=CC=C1)F)=O)C(OCCCC(C)C)=O