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Glutaric acid, dodecyl 2,4,6-trichlorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, dodecyl 2,4,6-trichlorobenzyl ester
SpectraBase Compound ID 7tD9CKSkpbO
InChI InChI=1S/C24H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-15-30-23(28)13-12-14-24(29)31-18-20-21(26)16-19(25)17-22(20)27/h16-17H,2-15,18H2,1H3
InChIKey JBIBOUNFOKLDNF-UHFFFAOYSA-N
Mol Weight 493.9 g/mol
Molecular Formula C24H35Cl3O4
Exact Mass 492.160093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrZAtvou9Aj
Name Glutaric acid, dodecyl 2,4,6-trichlorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.160092703 u
Formula C24H35Cl3O4
InChI InChI=1S/C24H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-15-30-23(28)13-12-14-24(29)31-18-20-21(26)16-19(25)17-22(20)27/h16-17H,2-15,18H2,1H3
InChIKey JBIBOUNFOKLDNF-UHFFFAOYSA-N
Molecular Weight 493.899 g/mol
SMILES C(OCC=1C(Cl)=CC(=CC1Cl)Cl)(=O)CCCC(OCCCCCCCCCCCC)=O