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Isophthalic acid, 3-chlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3-chlorophenyl nonyl ester
SpectraBase Compound ID 6y1r9rc8KJF
InChI InChI=1S/C23H27ClO4/c1-2-3-4-5-6-7-8-15-27-22(25)18-11-9-12-19(16-18)23(26)28-21-14-10-13-20(24)17-21/h9-14,16-17H,2-8,15H2,1H3
InChIKey ZGBLSJCERDVFTP-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 Fmvl9U3AWTf
Name Isophthalic acid, 3-chlorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.159787045 u
Formula C23H27ClO4
InChI InChI=1S/C23H27ClO4/c1-2-3-4-5-6-7-8-15-27-22(25)18-11-9-12-19(16-18)23(26)28-21-14-10-13-20(24)17-21/h9-14,16-17H,2-8,15H2,1H3
InChIKey ZGBLSJCERDVFTP-UHFFFAOYSA-N
Molecular Weight 402.918 g/mol
SMILES C1=C(C=C(C=C1)Cl)OC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O