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Pimelic acid, 2,3,4,6-tetrachlorophenyl heptyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,3,4,6-tetrachlorophenyl heptyl ester
SpectraBase Compound ID 5tCribYuYYe
InChI InChI=1S/C20H26Cl4O4/c1-2-3-4-5-9-12-27-16(25)10-7-6-8-11-17(26)28-20-15(22)13-14(21)18(23)19(20)24/h13H,2-12H2,1H3
InChIKey ASLZHBFKDITSHO-UHFFFAOYSA-N
Mol Weight 472.2 g/mol
Molecular Formula C20H26Cl4O4
Exact Mass 470.05852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbpBSVoPu8p
Name Pimelic acid, 2,3,4,6-tetrachlorophenyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26Cl4O4
InChI InChI=1S/C20H26Cl4O4/c1-2-3-4-5-9-12-27-16(25)10-7-6-8-11-17(26)28-20-15(22)13-14(21)18(23)19(20)24/h13H,2-12H2,1H3
InChIKey ASLZHBFKDITSHO-UHFFFAOYSA-N
Molecular Weight 472.236 g/mol
SMILES C(CCCCCC(Oc1c(c(c(cc1Cl)Cl)Cl)Cl)=O)(OCCCCCCC)=O
SPLASH splash10-0006-9720000000-b6351e1da0b1aa4dac47
Source of Spectrum TIPS-2022-549-0
Wiley ID 1822066