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Pimelic acid, 2,3,6-trichlorophenyl methyl ester
SpectraBase Compound ID APfCtKBBaGU
InChI InChI=1S/C14H15Cl3O4/c1-20-11(18)5-3-2-4-6-12(19)21-14-10(16)8-7-9(15)13(14)17/h7-8H,2-6H2,1H3
InChIKey QJJRROSKDNQISY-UHFFFAOYSA-N
Mol Weight 353.63 g/mol
Molecular Formula C14H15Cl3O4
Exact Mass 352.003592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oFFILVIgcJ
Name Pimelic acid, 2,3,6-trichlorophenyl methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15Cl3O4
InChI InChI=1S/C14H15Cl3O4/c1-20-11(18)5-3-2-4-6-12(19)21-14-10(16)8-7-9(15)13(14)17/h7-8H,2-6H2,1H3
InChIKey QJJRROSKDNQISY-UHFFFAOYSA-N
Molecular Weight 353.629 g/mol
SMILES C(CCCCCC(Oc1c(c(ccc1Cl)Cl)Cl)=O)(OC)=O
SPLASH splash10-0a6r-8900000000-9a98ba715ee1e854537c
Source of Spectrum TIPS-2022-579-0
Wiley ID 1822096