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Glutaric acid, decyl 2,3,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, decyl 2,3,6-trichlorophenyl ester
SpectraBase Compound ID IuVxxJsB8dt
InChI InChI=1S/C21H29Cl3O4/c1-2-3-4-5-6-7-8-9-15-27-18(25)11-10-12-19(26)28-21-17(23)14-13-16(22)20(21)24/h13-14H,2-12,15H2,1H3
InChIKey UFHUQXKJSYBHIU-UHFFFAOYSA-N
Mol Weight 451.82 g/mol
Molecular Formula C21H29Cl3O4
Exact Mass 450.113143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErDGwwh3I1w
Name Glutaric acid, decyl 2,3,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.113142510 u
Formula C21H29Cl3O4
InChI InChI=1S/C21H29Cl3O4/c1-2-3-4-5-6-7-8-9-15-27-18(25)11-10-12-19(26)28-21-17(23)14-13-16(22)20(21)24/h13-14H,2-12,15H2,1H3
InChIKey UFHUQXKJSYBHIU-UHFFFAOYSA-N
Molecular Weight 451.818 g/mol
SMILES CCCCCCCCCCOC(CCCC(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)=O