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Phthalic acid, 3-chlorophenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-chlorophenyl octyl ester
SpectraBase Compound ID Hct4sTLwWpI
InChI InChI=1S/C22H25ClO4/c1-2-3-4-5-6-9-15-26-21(24)19-13-7-8-14-20(19)22(25)27-18-12-10-11-17(23)16-18/h7-8,10-14,16H,2-6,9,15H2,1H3
InChIKey XFTVBNQQQGMWAZ-UHFFFAOYSA-N
Mol Weight 388.89 g/mol
Molecular Formula C22H25ClO4
Exact Mass 388.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zGic7rwAtw
Name Phthalic acid, 3-chlorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.144136981 u
Formula C22H25ClO4
InChI InChI=1S/C22H25ClO4/c1-2-3-4-5-6-9-15-26-21(24)19-13-7-8-14-20(19)22(25)27-18-12-10-11-17(23)16-18/h7-8,10-14,16H,2-6,9,15H2,1H3
InChIKey XFTVBNQQQGMWAZ-UHFFFAOYSA-N
Molecular Weight 388.891 g/mol
SMILES C1=C(C=CC=C1Cl)OC(C1=C(C=CC=C1)C(=O)OCCCCCCCC)=O