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Isophthalic acid, 2,6-dichlorophenyl decyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2,6-dichlorophenyl decyl ester
SpectraBase Compound ID 6wB5kXbYPBV
InChI InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-8-9-16-29-23(27)18-12-10-13-19(17-18)24(28)30-22-20(25)14-11-15-21(22)26/h10-15,17H,2-9,16H2,1H3
InChIKey KALCTSIVLBMRAE-UHFFFAOYSA-N
Mol Weight 451.39 g/mol
Molecular Formula C24H28Cl2O4
Exact Mass 450.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dcBhL7gnuA
Name Isophthalic acid, 2,6-dichlorophenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.136464778 u
Formula C24H28Cl2O4
InChI InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-8-9-16-29-23(27)18-12-10-13-19(17-18)24(28)30-22-20(25)14-11-15-21(22)26/h10-15,17H,2-9,16H2,1H3
InChIKey KALCTSIVLBMRAE-UHFFFAOYSA-N
Molecular Weight 451.390 g/mol
SMILES CCCCCCCCCCOC(C=1C=C(C(OC2=C(C=CC=C2Cl)Cl)=O)C=CC1)=O