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Phthalic acid, decyl 2,4,6-trichlorobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,4,6-trichlorobenzyl ester
SpectraBase Compound ID KEq0HcwBXen
InChI InChI=1S/C25H29Cl3O4/c1-2-3-4-5-6-7-8-11-14-31-24(29)19-12-9-10-13-20(19)25(30)32-17-21-22(27)15-18(26)16-23(21)28/h9-10,12-13,15-16H,2-8,11,14,17H2,1H3
InChIKey ISCOTEXXDLPMAR-UHFFFAOYSA-N
Mol Weight 499.86 g/mol
Molecular Formula C25H29Cl3O4
Exact Mass 498.113143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYoh9saDqhJ
Name Phthalic acid, decyl 2,4,6-trichlorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.113142510 u
Formula C25H29Cl3O4
InChI InChI=1S/C25H29Cl3O4/c1-2-3-4-5-6-7-8-11-14-31-24(29)19-12-9-10-13-20(19)25(30)32-17-21-22(27)15-18(26)16-23(21)28/h9-10,12-13,15-16H,2-8,11,14,17H2,1H3
InChIKey ISCOTEXXDLPMAR-UHFFFAOYSA-N
Molecular Weight 499.862 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)OCCCCCCCCCC