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Phthalic acid, 2,2-dichloroethyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2-dichloroethyl dodecyl ester
SpectraBase Compound ID 3Dr6vvdcKAt
InChI InChI=1S/C22H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-16-27-21(25)18-14-11-12-15-19(18)22(26)28-17-20(23)24/h11-12,14-15,20H,2-10,13,16-17H2,1H3
InChIKey BJDHUPJZEJEDDL-UHFFFAOYSA-N
Mol Weight 431.4 g/mol
Molecular Formula C22H32Cl2O4
Exact Mass 430.167765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbXViWWoBHv
Name Phthalic acid, 2,2-dichloroethyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.167764906 u
Formula C22H32Cl2O4
InChI InChI=1S/C22H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-16-27-21(25)18-14-11-12-15-19(18)22(26)28-17-20(23)24/h11-12,14-15,20H,2-10,13,16-17H2,1H3
InChIKey BJDHUPJZEJEDDL-UHFFFAOYSA-N
Molecular Weight 431.400 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCCCC)C(OCC(Cl)Cl)=O