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Pimelic acid, 2,4,5-trichlorophenyl octyl ester
SpectraBase Compound ID E5XkrH97dcn
InChI InChI=1S/C21H29Cl3O4/c1-2-3-4-5-6-10-13-27-20(25)11-8-7-9-12-21(26)28-19-15-17(23)16(22)14-18(19)24/h14-15H,2-13H2,1H3
InChIKey OAQVNDBFOVAJTE-UHFFFAOYSA-N
Mol Weight 451.82 g/mol
Molecular Formula C21H29Cl3O4
Exact Mass 450.113143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bZl3jwgm4Q
Name Pimelic acid, 2,4,5-trichlorophenyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29Cl3O4
InChI InChI=1S/C21H29Cl3O4/c1-2-3-4-5-6-10-13-27-20(25)11-8-7-9-12-21(26)28-19-15-17(23)16(22)14-18(19)24/h14-15H,2-13H2,1H3
InChIKey OAQVNDBFOVAJTE-UHFFFAOYSA-N
Molecular Weight 451.818 g/mol
SMILES C(CCCCCC(Oc1c(cc(c(c1)Cl)Cl)Cl)=O)(OCCCCCCCC)=O
SPLASH splash10-054o-9810000000-e23d2a07cde78105ae62
Source of Spectrum TIPS-2022-447-0
Wiley ID 1821964