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Glutaric acid, 2-methylhex-3-yl 2,4,6-trichlorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylhex-3-yl 2,4,6-trichlorobenzyl ester
SpectraBase Compound ID 5ZgcMqtNOQ
InChI InChI=1S/C19H25Cl3O4/c1-4-6-17(12(2)3)26-19(24)8-5-7-18(23)25-11-14-15(21)9-13(20)10-16(14)22/h9-10,12,17H,4-8,11H2,1-3H3
InChIKey VCWVQQSBQIKXBT-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 Em3PU4jAUYq
Name Glutaric acid, 2-methylhex-3-yl 2,4,6-trichlorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.081842381 u
Formula C19H25Cl3O4
InChI InChI=1S/C19H25Cl3O4/c1-4-6-17(12(2)3)26-19(24)8-5-7-18(23)25-11-14-15(21)9-13(20)10-16(14)22/h9-10,12,17H,4-8,11H2,1-3H3
InChIKey VCWVQQSBQIKXBT-UHFFFAOYSA-N
Molecular Weight 423.764 g/mol
SMILES C(OCC=1C(Cl)=CC(=CC1Cl)Cl)(=O)CCCC(OC(CCC)C(C)C)=O