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

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,3,4,6-tetrachlorophenyl nonyl ester
SpectraBase Compound ID 5fBJIY5Uf2w
InChI InChI=1S/C22H30Cl4O4/c1-2-3-4-5-6-7-11-14-29-18(27)12-9-8-10-13-19(28)30-22-17(24)15-16(23)20(25)21(22)26/h15H,2-14H2,1H3
InChIKey STQYWCHRKKIRMU-UHFFFAOYSA-N
Mol Weight 500.3 g/mol
Molecular Formula C22H30Cl4O4
Exact Mass 498.08982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBJhfeadyby
Name Pimelic acid, 2,3,4,6-tetrachlorophenyl nonyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30Cl4O4
InChI InChI=1S/C22H30Cl4O4/c1-2-3-4-5-6-7-11-14-29-18(27)12-9-8-10-13-19(28)30-22-17(24)15-16(23)20(25)21(22)26/h15H,2-14H2,1H3
InChIKey STQYWCHRKKIRMU-UHFFFAOYSA-N
Molecular Weight 500.290 g/mol
SMILES C(CCCCCC(Oc1c(c(c(cc1Cl)Cl)Cl)Cl)=O)(OCCCCCCCCC)=O
SPLASH splash10-002f-9820000000-2a4193590b0b99f88669
Source of Spectrum TIPS-2022-551-0
Wiley ID 1822068