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Isophthalic acid, decyl 3,5-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, decyl 3,5-dichlorophenyl ester
SpectraBase Compound ID 8Vi1L47Nala
InChI InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-8-9-13-29-23(27)18-11-10-12-19(14-18)24(28)30-22-16-20(25)15-21(26)17-22/h10-12,14-17H,2-9,13H2,1H3
InChIKey QPEGCUXPGHOTKA-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 6Ip4tjMHVnn
Name Isophthalic acid, decyl 3,5-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.136464778 u
Formula C24H28Cl2O4
InChI InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-8-9-13-29-23(27)18-11-10-12-19(14-18)24(28)30-22-16-20(25)15-21(26)17-22/h10-12,14-17H,2-9,13H2,1H3
InChIKey QPEGCUXPGHOTKA-UHFFFAOYSA-N
Molecular Weight 451.390 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCCCC)C(OC1=CC(=CC(=C1)Cl)Cl)=O