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Phthalic acid, 2-(3-chlorophenyl)ethyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-chlorophenyl)ethyl nonyl ester
SpectraBase Compound ID CfTDIKMn7Nh
InChI InChI=1S/C25H31ClO4/c1-2-3-4-5-6-7-10-17-29-24(27)22-14-8-9-15-23(22)25(28)30-18-16-20-12-11-13-21(26)19-20/h8-9,11-15,19H,2-7,10,16-18H2,1H3
InChIKey MWGQZLUQNRMYPD-UHFFFAOYSA-N
Mol Weight 430.97 g/mol
Molecular Formula C25H31ClO4
Exact Mass 430.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tC0r05YmLv
Name Phthalic acid, 2-(3-chlorophenyl)ethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.191087174 u
Formula C25H31ClO4
InChI InChI=1S/C25H31ClO4/c1-2-3-4-5-6-7-10-17-29-24(27)22-14-8-9-15-23(22)25(28)30-18-16-20-12-11-13-21(26)19-20/h8-9,11-15,19H,2-7,10,16-18H2,1H3
InChIKey MWGQZLUQNRMYPD-UHFFFAOYSA-N
Molecular Weight 430.972 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC(=C1)Cl)=O)(OCCCCCCCCC)=O