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

View entire compound with spectra: 1 NMR

Adipic acid, decyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID CjA1tllHSat
InChI InChI=1S/C22H31Cl3O4/c1-2-3-4-5-6-7-8-11-14-28-21(26)12-9-10-13-22(27)29-20-16-18(24)17(23)15-19(20)25/h15-16H,2-14H2,1H3
InChIKey XKCFXCSKCVRFCC-UHFFFAOYSA-N
Mol Weight 465.85 g/mol
Molecular Formula C22H31Cl3O4
Exact Mass 464.128793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HamVN9ROw9Y
Name Adipic acid, decyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.128792574 u
Formula C22H31Cl3O4
InChI InChI=1S/C22H31Cl3O4/c1-2-3-4-5-6-7-8-11-14-28-21(26)12-9-10-13-22(27)29-20-16-18(24)17(23)15-19(20)25/h15-16H,2-14H2,1H3
InChIKey XKCFXCSKCVRFCC-UHFFFAOYSA-N
Molecular Weight 465.845 g/mol
SMILES C(CCC(OC1=CC(=C(C=C1Cl)Cl)Cl)=O)CC(OCCCCCCCCCC)=O