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Glutaric acid, 2-ethylhexyl 2,3,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-ethylhexyl 2,3,5-trichlorophenyl ester
SpectraBase Compound ID AgBrUPvMPcR
InChI InChI=1S/C19H25Cl3O4/c1-3-5-7-13(4-2)12-25-17(23)8-6-9-18(24)26-16-11-14(20)10-15(21)19(16)22/h10-11,13H,3-9,12H2,1-2H3
InChIKey CJOOHUXDWXBRJN-UHFFFAOYSA-N
Mol Weight 423.76 g/mol
Molecular Formula C19H25Cl3O4
Exact Mass 422.081842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELVuvzlGW1X
Name Glutaric acid, 2-ethylhexyl 2,3,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.081842381 u
Formula C19H25Cl3O4
InChI InChI=1S/C19H25Cl3O4/c1-3-5-7-13(4-2)12-25-17(23)8-6-9-18(24)26-16-11-14(20)10-15(21)19(16)22/h10-11,13H,3-9,12H2,1-2H3
InChIKey CJOOHUXDWXBRJN-UHFFFAOYSA-N
Molecular Weight 423.764 g/mol
SMILES C(CCC(OCC(CC)CCCC)=O)C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O