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

View entire compound with spectra: 1 NMR

Glutaric acid, 8-chlorooctyl 4-chloro-2-methoxyphenyl ester
SpectraBase Compound ID F5AbRdYu9R5
InChI InChI=1S/C20H28Cl2O5/c1-25-18-15-16(22)11-12-17(18)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 ZWKWDSSOOMCJLM-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 2VUbZggARwI
Name Glutaric acid, 8-chlorooctyl 4-chloro-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.131379397 u
Formula C20H28Cl2O5
InChI InChI=1S/C20H28Cl2O5/c1-25-18-15-16(22)11-12-17(18)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 ZWKWDSSOOMCJLM-UHFFFAOYSA-N
Molecular Weight 419.345 g/mol
SMILES C(CCC(OCCCCCCCCCl)=O)C(OC1=CC=C(C=C1OC)Cl)=O