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Phthalic acid, 4-chloro-2-methylphenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-2-methylphenyl octyl ester
SpectraBase Compound ID J1g2xiypbR5
InChI InChI=1S/C23H27ClO4/c1-3-4-5-6-7-10-15-27-22(25)19-11-8-9-12-20(19)23(26)28-21-14-13-18(24)16-17(21)2/h8-9,11-14,16H,3-7,10,15H2,1-2H3
InChIKey FBRITOYYSWWUDQ-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 KT2h3vIf26h
Name Phthalic acid, 4-chloro-2-methylphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.159787045 u
Formula C23H27ClO4
InChI InChI=1S/C23H27ClO4/c1-3-4-5-6-7-10-15-27-22(25)19-11-8-9-12-20(19)23(26)28-21-14-13-18(24)16-17(21)2/h8-9,11-14,16H,3-7,10,15H2,1-2H3
InChIKey FBRITOYYSWWUDQ-UHFFFAOYSA-N
Molecular Weight 402.918 g/mol
SMILES C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCCCCCCCC)=O