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Phthalic acid, 4-chlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chlorophenyl nonyl ester
SpectraBase Compound ID FLA9TKyKxNW
InChI InChI=1S/C23H27ClO4/c1-2-3-4-5-6-7-10-17-27-22(25)20-11-8-9-12-21(20)23(26)28-19-15-13-18(24)14-16-19/h8-9,11-16H,2-7,10,17H2,1H3
InChIKey GNINNKUDMYSFRV-UHFFFAOYSA-N
Mol Weight 402.92 g/mol
Molecular Formula C23H27ClO4
Exact Mass 402.159787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBBRUlWyLPz
Name Phthalic acid, 4-chlorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.159787045 u
Formula C23H27ClO4
InChI InChI=1S/C23H27ClO4/c1-2-3-4-5-6-7-10-17-27-22(25)20-11-8-9-12-21(20)23(26)28-19-15-13-18(24)14-16-19/h8-9,11-16H,2-7,10,17H2,1H3
InChIKey GNINNKUDMYSFRV-UHFFFAOYSA-N
Molecular Weight 402.918 g/mol
SMILES CCCCCCCCCOC(C1=CC=CC=C1C(OC1=CC=C(C=C1)Cl)=O)=O