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Pimelic acid, 2,4,5-trichlorophenyl nonyl ester
SpectraBase Compound ID GMzhgUGGVOf
InChI InChI=1S/C22H31Cl3O4/c1-2-3-4-5-6-7-11-14-28-21(26)12-9-8-10-13-22(27)29-20-16-18(24)17(23)15-19(20)25/h15-16H,2-14H2,1H3
InChIKey UZQNGRIMMQJRTC-UHFFFAOYSA-N
Mol Weight 465.85 g/mol
Molecular Formula C22H31Cl3O4
Exact Mass 464.128793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXuZQS78JrE
Name Pimelic acid, 2,4,5-trichlorophenyl nonyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31Cl3O4
InChI InChI=1S/C22H31Cl3O4/c1-2-3-4-5-6-7-11-14-28-21(26)12-9-8-10-13-22(27)29-20-16-18(24)17(23)15-19(20)25/h15-16H,2-14H2,1H3
InChIKey UZQNGRIMMQJRTC-UHFFFAOYSA-N
Molecular Weight 465.845 g/mol
SMILES C(CCCCCC(Oc1c(cc(c(c1)Cl)Cl)Cl)=O)(OCCCCCCCCC)=O
SPLASH splash10-002f-9810000000-aec57bce10e461a9971a
Source of Spectrum TIPS-2022-448-0
Wiley ID 1821965