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Pimelic acid, 2,3,6-trichlorophenyl pentyl ester
SpectraBase Compound ID LgCnsRZaZk0
InChI InChI=1S/C18H23Cl3O4/c1-2-3-7-12-24-15(22)8-5-4-6-9-16(23)25-18-14(20)11-10-13(19)17(18)21/h10-11H,2-9,12H2,1H3
InChIKey QQXXDAYAJNAAFB-UHFFFAOYSA-N
Mol Weight 409.74 g/mol
Molecular Formula C18H23Cl3O4
Exact Mass 408.066192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kl5TqjIoa0p
Name Pimelic acid, 2,3,6-trichlorophenyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23Cl3O4
InChI InChI=1S/C18H23Cl3O4/c1-2-3-7-12-24-15(22)8-5-4-6-9-16(23)25-18-14(20)11-10-13(19)17(18)21/h10-11H,2-9,12H2,1H3
InChIKey QQXXDAYAJNAAFB-UHFFFAOYSA-N
Molecular Weight 409.737 g/mol
SMILES C(CCCCCC(Oc1c(c(ccc1Cl)Cl)Cl)=O)(OCCCCC)=O
SPLASH splash10-002f-9810000000-c2927125e9ba6ae07c18
Source of Spectrum TIPS-2022-584-0
Wiley ID 1822101