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Glutaric acid, 2-chloro-4-methoxyphenyl 8-chlorooctyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-chloro-4-methoxyphenyl 8-chlorooctyl ester
SpectraBase Compound ID 5yW1m9nFXWg
InChI InChI=1S/C20H28Cl2O5/c1-25-16-11-12-18(17(22)15-16)27-20(24)10-8-9-19(23)26-14-7-5-3-2-4-6-13-21/h11-12,15H,2-10,13-14H2,1H3
InChIKey BSRKLTWSIJPPIC-UHFFFAOYSA-N
Mol Weight 419.35 g/mol
Molecular Formula C20H28Cl2O5
Exact Mass 418.131379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0gwgH9yWSW
Name Glutaric acid, 2-chloro-4-methoxyphenyl 8-chlorooctyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.131379397 u
Formula C20H28Cl2O5
InChI InChI=1S/C20H28Cl2O5/c1-25-16-11-12-18(17(22)15-16)27-20(24)10-8-9-19(23)26-14-7-5-3-2-4-6-13-21/h11-12,15H,2-10,13-14H2,1H3
InChIKey BSRKLTWSIJPPIC-UHFFFAOYSA-N
Molecular Weight 419.345 g/mol
SMILES C(CCCC(OCCCCCCCCCl)=O)(OC1=CC=C(OC)C=C1Cl)=O