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Pimelic acid, 2,3,4,6-tetrachlorophenyl isobutyl ester
SpectraBase Compound ID 5rGsvXFnJFj
InChI InChI=1S/C17H20Cl4O4/c1-10(2)9-24-13(22)6-4-3-5-7-14(23)25-17-12(19)8-11(18)15(20)16(17)21/h8,10H,3-7,9H2,1-2H3
InChIKey DWJZOGJWXMUEPV-UHFFFAOYSA-N
Mol Weight 430.2 g/mol
Molecular Formula C17H20Cl4O4
Exact Mass 428.01157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InmyR6azerC
Name Pimelic acid, 2,3,4,6-tetrachlorophenyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20Cl4O4
InChI InChI=1S/C17H20Cl4O4/c1-10(2)9-24-13(22)6-4-3-5-7-14(23)25-17-12(19)8-11(18)15(20)16(17)21/h8,10H,3-7,9H2,1-2H3
InChIKey DWJZOGJWXMUEPV-UHFFFAOYSA-N
Molecular Weight 430.155 g/mol
SMILES C(CCCCCC(Oc1c(c(c(cc1Cl)Cl)Cl)Cl)=O)(OCC(C)C)=O
SPLASH splash10-054o-9810000000-72e61e6b1445cc73d64a
Source of Spectrum TIPS-2022-544-0
Wiley ID 1822061