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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,3,4,6-tetrachlorophenyl octyl ester
SpectraBase Compound ID 4VhiOIc7kAS
InChI InChI=1S/C21H28Cl4O4/c1-2-3-4-5-6-10-13-28-17(26)11-8-7-9-12-18(27)29-21-16(23)14-15(22)19(24)20(21)25/h14H,2-13H2,1H3
InChIKey VZODLIHGRBAGQH-UHFFFAOYSA-N
Mol Weight 486.3 g/mol
Molecular Formula C21H28Cl4O4
Exact Mass 484.07417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5Od8No23LF
Name Pimelic acid, 2,3,4,6-tetrachlorophenyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28Cl4O4
InChI InChI=1S/C21H28Cl4O4/c1-2-3-4-5-6-10-13-28-17(26)11-8-7-9-12-18(27)29-21-16(23)14-15(22)19(24)20(21)25/h14H,2-13H2,1H3
InChIKey VZODLIHGRBAGQH-UHFFFAOYSA-N
Molecular Weight 486.263 g/mol
SMILES C(CCCCCC(Oc1c(c(c(cc1Cl)Cl)Cl)Cl)=O)(OCCCCCCCC)=O
SPLASH splash10-054o-9820000000-62461404d6202e8f6ed5
Source of Spectrum TIPS-2022-550-0
Wiley ID 1822067