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Glutaric acid, 8-chlorooctyl 2-chloro-5-methylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 8-chlorooctyl 2-chloro-5-methylphenyl ester
SpectraBase Compound ID HzhNJQs2Zj8
InChI InChI=1S/C20H28Cl2O4/c1-16-11-12-17(22)18(15-16)26-20(24)10-8-9-19(23)25-14-7-5-3-2-4-6-13-21/h11-12,15H,2-10,13-14H2,1H3
InChIKey HAQOHYZBEXNMAQ-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C20H28Cl2O4
Exact Mass 402.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHT2ovjcYeJ
Name Glutaric acid, 8-chlorooctyl 2-chloro-5-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.136464778 u
Formula C20H28Cl2O4
InChI InChI=1S/C20H28Cl2O4/c1-16-11-12-17(22)18(15-16)26-20(24)10-8-9-19(23)25-14-7-5-3-2-4-6-13-21/h11-12,15H,2-10,13-14H2,1H3
InChIKey HAQOHYZBEXNMAQ-UHFFFAOYSA-N
Molecular Weight 403.346 g/mol
SMILES C(CCC(OCCCCCCCCCl)=O)C(OC1=CC(C)=CC=C1Cl)=O