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

View entire compound with spectra: 1 NMR

Glutaric acid, 2,3,6-trichlorophenyl tetradecyl ester
SpectraBase Compound ID DZcplQ1A4tK
InChI InChI=1S/C25H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-31-22(29)15-14-16-23(30)32-25-21(27)18-17-20(26)24(25)28/h17-18H,2-16,19H2,1H3
InChIKey LVQNBTFZXTVZCM-UHFFFAOYSA-N
Mol Weight 507.9 g/mol
Molecular Formula C25H37Cl3O4
Exact Mass 506.175743 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEXuFqaDncP
Name Glutaric acid, 2,3,6-trichlorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.175742767 u
Formula C25H37Cl3O4
InChI InChI=1S/C25H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-31-22(29)15-14-16-23(30)32-25-21(27)18-17-20(26)24(25)28/h17-18H,2-16,19H2,1H3
InChIKey LVQNBTFZXTVZCM-UHFFFAOYSA-N
Molecular Weight 507.926 g/mol
SMILES C(CCCCCCCCCCCCOC(CCCC(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)=O)C