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Glutaric acid, 2,4,6-trichlorophenyl 3-methyl-5-methoxypentyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2,4,6-trichlorophenyl 3-methyl-5-methoxypentyl ester
SpectraBase Compound ID IEaZYujFfKB
InChI InChI=1S/C18H23Cl3O5/c1-12(6-8-24-2)7-9-25-16(22)4-3-5-17(23)26-18-14(20)10-13(19)11-15(18)21/h10-12H,3-9H2,1-2H3
InChIKey SJVCCNBBUMXNCX-UHFFFAOYSA-N
Mol Weight 425.74 g/mol
Molecular Formula C18H23Cl3O5
Exact Mass 424.061107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3tLcqj8ivGR
Name Glutaric acid, 2,4,6-trichlorophenyl 3-methyl-5-methoxypentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.061106936 u
Formula C18H23Cl3O5
InChI InChI=1S/C18H23Cl3O5/c1-12(6-8-24-2)7-9-25-16(22)4-3-5-17(23)26-18-14(20)10-13(19)11-15(18)21/h10-12H,3-9H2,1-2H3
InChIKey SJVCCNBBUMXNCX-UHFFFAOYSA-N
Molecular Weight 425.736 g/mol
SMILES C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCCC(C)CCOC)=O