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Adipic acid, octyl 2,3,4,6-tetrachlorophenyl ester

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Adipic acid, octyl 2,3,4,6-tetrachlorophenyl ester
SpectraBase Compound ID L1qCU7wcPw9
InChI InChI=1S/C20H26Cl4O4/c1-2-3-4-5-6-9-12-27-16(25)10-7-8-11-17(26)28-20-15(22)13-14(21)18(23)19(20)24/h13H,2-12H2,1H3
InChIKey LFMGPCYJMDMKDU-UHFFFAOYSA-N
Mol Weight 472.2 g/mol
Molecular Formula C20H26Cl4O4
Exact Mass 470.05852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8x6BK6yPRgK
Name Adipic acid, octyl 2,3,4,6-tetrachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.058520113 u
Formula C20H26Cl4O4
InChI InChI=1S/C20H26Cl4O4/c1-2-3-4-5-6-9-12-27-16(25)10-7-8-11-17(26)28-20-15(22)13-14(21)18(23)19(20)24/h13H,2-12H2,1H3
InChIKey LFMGPCYJMDMKDU-UHFFFAOYSA-N
Molecular Weight 472.236 g/mol
SMILES C(CCCC(OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl)=O)C(OCCCCCCCC)=O