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Pimelic acid, 2,6-dichlorobenzyl hexyl ester
SpectraBase Compound ID DpFjnN9Q5wt
InChI InChI=1S/C20H28Cl2O4/c1-2-3-4-8-14-25-19(23)12-6-5-7-13-20(24)26-15-16-17(21)10-9-11-18(16)22/h9-11H,2-8,12-15H2,1H3
InChIKey OJPHEILWLYFWQC-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C20H28Cl2O4
Exact Mass 402.136465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID An0dD6HNPJu
Name Pimelic acid, 2,6-dichlorobenzyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28Cl2O4
InChI InChI=1S/C20H28Cl2O4/c1-2-3-4-8-14-25-19(23)12-6-5-7-13-20(24)26-15-16-17(21)10-9-11-18(16)22/h9-11H,2-8,12-15H2,1H3
InChIKey OJPHEILWLYFWQC-UHFFFAOYSA-N
Molecular Weight 403.346 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OCCCCCC)=O
SPLASH splash10-0a6u-5910000000-ff17c10ef7d0cad75ec6
Source of Spectrum TIPS-2022-739-0
Wiley ID 1822256