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Isophthalic acid, decyl 2-fluorophenyl ester
SpectraBase Compound ID 6LQjwgJw6va
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-7-8-11-17-28-23(26)19-13-12-14-20(18-19)24(27)29-22-16-10-9-15-21(22)25/h9-10,12-16,18H,2-8,11,17H2,1H3
InChIKey SIYZCENRSALRGZ-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 BqX5UcvWwId
Name Isophthalic acid, decyl 2-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.204987573 u
Formula C24H29FO4
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-7-8-11-17-28-23(26)19-13-12-14-20(18-19)24(27)29-22-16-10-9-15-21(22)25/h9-10,12-16,18H,2-8,11,17H2,1H3
InChIKey SIYZCENRSALRGZ-UHFFFAOYSA-N
Molecular Weight 400.490 g/mol
SMILES C1=CC=C(C=C1C(OCCCCCCCCCC)=O)C(OC1=C(C=CC=C1)F)=O