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Pimelic acid, 2,3,4,6-tetrachlorophenyl pentyl ester
SpectraBase Compound ID KODCfamTcGX
InChI InChI=1S/C18H22Cl4O4/c1-2-3-7-10-25-14(23)8-5-4-6-9-15(24)26-18-13(20)11-12(19)16(21)17(18)22/h11H,2-10H2,1H3
InChIKey BHFHBHHFADRHRZ-UHFFFAOYSA-N
Mol Weight 444.2 g/mol
Molecular Formula C18H22Cl4O4
Exact Mass 442.02722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMKeufjXcju
Name Pimelic acid, 2,3,4,6-tetrachlorophenyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22Cl4O4
InChI InChI=1S/C18H22Cl4O4/c1-2-3-7-10-25-14(23)8-5-4-6-9-15(24)26-18-13(20)11-12(19)16(21)17(18)22/h11H,2-10H2,1H3
InChIKey BHFHBHHFADRHRZ-UHFFFAOYSA-N
Molecular Weight 444.182 g/mol
SMILES C(CCCCCC(Oc1c(c(c(cc1Cl)Cl)Cl)Cl)=O)(OCCCCC)=O
SPLASH splash10-002f-9820000000-4be6fde8cc14d78f3afa
Source of Spectrum TIPS-2022-546-0
Wiley ID 1822063