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Glutaric acid, tetradecyl 2,4,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tetradecyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID 4IMjWOnFHRs
InChI InChI=1S/C25H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-31-24(29)15-14-16-25(30)32-23-19-21(27)20(26)18-22(23)28/h18-19H,2-17H2,1H3
InChIKey ZDIGNAWKRVWTLZ-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 ELZCgJQ2EEv
Name Glutaric acid, tetradecyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.175742767 u
Formula C25H37Cl3O4
InChI InChI=1S/C25H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-31-24(29)15-14-16-25(30)32-23-19-21(27)20(26)18-22(23)28/h18-19H,2-17H2,1H3
InChIKey ZDIGNAWKRVWTLZ-UHFFFAOYSA-N
Molecular Weight 507.926 g/mol
SMILES CCCCCCCCCCCCCCOC(CCCC(OC1=CC(=C(C=C1Cl)Cl)Cl)=O)=O