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Glutaric acid, 2,4,6-trichlorophenyl 2-tert-butylcyclohexyl ester

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Glutaric acid, 2,4,6-trichlorophenyl 2-tert-butylcyclohexyl ester
SpectraBase Compound ID FmJiwwxbx3d
InChI InChI=1S/C21H27Cl3O4/c1-21(2,3)14-7-4-5-8-17(14)27-18(25)9-6-10-19(26)28-20-15(23)11-13(22)12-16(20)24/h11-12,14,17H,4-10H2,1-3H3
InChIKey AGFSWKFACSBNMT-UHFFFAOYSA-N
Mol Weight 449.8 g/mol
Molecular Formula C21H27Cl3O4
Exact Mass 448.097492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8evEgQ2WY2
Name Glutaric acid, 2,4,6-trichlorophenyl 2-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 448.097492445 u
Formula C21H27Cl3O4
InChI InChI=1S/C21H27Cl3O4/c1-21(2,3)14-7-4-5-8-17(14)27-18(25)9-6-10-19(26)28-20-15(23)11-13(22)12-16(20)24/h11-12,14,17H,4-10H2,1-3H3
InChIKey AGFSWKFACSBNMT-UHFFFAOYSA-N
Molecular Weight 449.802 g/mol
SMILES C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC1C(CCCC1)C(C)(C)C)=O