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Isophthalic acid, 2-chlorophenyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-chlorophenyl octyl ester
SpectraBase Compound ID 85CJvCX3xRN
InChI InChI=1S/C22H25ClO4/c1-2-3-4-5-6-9-15-26-21(24)17-11-10-12-18(16-17)22(25)27-20-14-8-7-13-19(20)23/h7-8,10-14,16H,2-6,9,15H2,1H3
InChIKey VWQVNPPUFSVEMI-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 7RCX9ftCes7
Name Isophthalic acid, 2-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)17-11-10-12-18(16-17)22(25)27-20-14-8-7-13-19(20)23/h7-8,10-14,16H,2-6,9,15H2,1H3
InChIKey VWQVNPPUFSVEMI-UHFFFAOYSA-N
Molecular Weight 388.891 g/mol
SMILES C1(=CC=CC=C1Cl)OC(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O