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Phthalic acid, 4-chloro-3-methylphenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-3-methylphenyl 2-ethylhexyl ester
SpectraBase Compound ID FFHGVMBBtpq
InChI InChI=1S/C23H27ClO4/c1-4-6-9-17(5-2)15-27-22(25)19-10-7-8-11-20(19)23(26)28-18-12-13-21(24)16(3)14-18/h7-8,10-14,17H,4-6,9,15H2,1-3H3
InChIKey KOVJRLKFYNCNGE-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 5PYFtkEao3e
Name Phthalic acid, 4-chloro-3-methylphenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.159787045 u
Formula C23H27ClO4
InChI InChI=1S/C23H27ClO4/c1-4-6-9-17(5-2)15-27-22(25)19-10-7-8-11-20(19)23(26)28-18-12-13-21(24)16(3)14-18/h7-8,10-14,17H,4-6,9,15H2,1-3H3
InChIKey KOVJRLKFYNCNGE-UHFFFAOYSA-N
Molecular Weight 402.918 g/mol
SMILES C1=C(C(=CC=C1)C(OCC(CC)CCCC)=O)C(OC1=CC=C(C(=C1)C)Cl)=O