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Phthalic acid, 3-chlorobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-chlorobenzyl nonyl ester
SpectraBase Compound ID 7x8kLDk7llb
InChI InChI=1S/C24H29ClO4/c1-2-3-4-5-6-7-10-16-28-23(26)21-14-8-9-15-22(21)24(27)29-18-19-12-11-13-20(25)17-19/h8-9,11-15,17H,2-7,10,16,18H2,1H3
InChIKey UVCLUCYNKIMBJD-UHFFFAOYSA-N
Mol Weight 416.95 g/mol
Molecular Formula C24H29ClO4
Exact Mass 416.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dUxgFJHSqe
Name Phthalic acid, 3-chlorobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.175437110 u
Formula C24H29ClO4
InChI InChI=1S/C24H29ClO4/c1-2-3-4-5-6-7-10-16-28-23(26)21-14-8-9-15-22(21)24(27)29-18-19-12-11-13-20(25)17-19/h8-9,11-15,17H,2-7,10,16,18H2,1H3
InChIKey UVCLUCYNKIMBJD-UHFFFAOYSA-N
Molecular Weight 416.945 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCC)=O)C(OCC1=CC(=CC=C1)Cl)=O