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Adipic acid, 2,4,5-trichlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 2,4,5-trichlorophenyl undecyl ester
SpectraBase Compound ID 70owjKyX3N0
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-5-6-7-8-9-12-15-29-22(27)13-10-11-14-23(28)30-21-17-19(25)18(24)16-20(21)26/h16-17H,2-15H2,1H3
InChIKey ZUGYXGYOOKNSGL-UHFFFAOYSA-N
Mol Weight 479.9 g/mol
Molecular Formula C23H33Cl3O4
Exact Mass 478.144443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQ8SWgYGn7Z
Name Adipic acid, 2,4,5-trichlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.144442639 u
Formula C23H33Cl3O4
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-5-6-7-8-9-12-15-29-22(27)13-10-11-14-23(28)30-21-17-19(25)18(24)16-20(21)26/h16-17H,2-15H2,1H3
InChIKey ZUGYXGYOOKNSGL-UHFFFAOYSA-N
Molecular Weight 479.872 g/mol
SMILES C(CCC(OC1=CC(=C(C=C1Cl)Cl)Cl)=O)CC(OCCCCCCCCCCC)=O