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Phthalic acid, decyl 2-fluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2-fluorophenyl ester
SpectraBase Compound ID GTePeSNOf5t
InChI InChI=1S/C24H29FO4/c1-2-3-4-5-6-7-8-13-18-28-23(26)19-14-9-10-15-20(19)24(27)29-22-17-12-11-16-21(22)25/h9-12,14-17H,2-8,13,18H2,1H3
InChIKey PCUFAOVEPZKGLQ-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 21FRhBISbvW
Name Phthalic 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/c1-2-3-4-5-6-7-8-13-18-28-23(26)19-14-9-10-15-20(19)24(27)29-22-17-12-11-16-21(22)25/h9-12,14-17H,2-8,13,18H2,1H3
InChIKey PCUFAOVEPZKGLQ-UHFFFAOYSA-N
Molecular Weight 400.490 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCC)=O)C(OC1=CC=CC=C1F)=O