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Pimelic acid, 2,3,4,6-tetrachlorophenyl ethyl ester
SpectraBase Compound ID 5hCbv4iMLO8
InChI InChI=1S/C15H16Cl4O4/c1-2-22-11(20)6-4-3-5-7-12(21)23-15-10(17)8-9(16)13(18)14(15)19/h8H,2-7H2,1H3
InChIKey VHVUMIMBZRNGQX-UHFFFAOYSA-N
Mol Weight 402.1 g/mol
Molecular Formula C15H16Cl4O4
Exact Mass 399.98027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sHIM9r1KsQ
Name Pimelic acid, 2,3,4,6-tetrachlorophenyl ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16Cl4O4
InChI InChI=1S/C15H16Cl4O4/c1-2-22-11(20)6-4-3-5-7-12(21)23-15-10(17)8-9(16)13(18)14(15)19/h8H,2-7H2,1H3
InChIKey VHVUMIMBZRNGQX-UHFFFAOYSA-N
Molecular Weight 402.101 g/mol
SMILES C(CCCCCC(Oc1c(c(c(cc1Cl)Cl)Cl)Cl)=O)(OCC)=O
SPLASH splash10-00b9-8910000000-4dd692f85ea8fe8a55c1
Source of Spectrum TIPS-2022-542-0
Wiley ID 1822059