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Glutaric acid, 2,4,6-trichlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,4,6-trichlorophenyl undecyl ester
SpectraBase Compound ID GQBu86TieSb
InChI InChI=1S/C22H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-14-28-20(26)12-11-13-21(27)29-22-18(24)15-17(23)16-19(22)25/h15-16H,2-14H2,1H3
InChIKey JUPHAGFGHACKIY-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 78Xm2eeBdl4
Name Glutaric acid, 2,4,6-trichlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.128792574 u
Formula C22H31Cl3O4
InChI InChI=1S/C22H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-14-28-20(26)12-11-13-21(27)29-22-18(24)15-17(23)16-19(22)25/h15-16H,2-14H2,1H3
InChIKey JUPHAGFGHACKIY-UHFFFAOYSA-N
Molecular Weight 465.845 g/mol
SMILES CCCCCCCCCCCOC(CCCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)=O