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Pimelic acid, 2,2,2-trichloroethyl undecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,2,2-trichloroethyl undecyl ester
SpectraBase Compound ID E0WFFue74hy
InChI InChI=1S/C20H35Cl3O4/c1-2-3-4-5-6-7-8-9-13-16-26-18(24)14-11-10-12-15-19(25)27-17-20(21,22)23/h2-17H2,1H3
InChIKey SHICRGTWFBWURG-UHFFFAOYSA-N
Mol Weight 445.9 g/mol
Molecular Formula C20H35Cl3O4
Exact Mass 444.160093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MIzDm9j4jx
Name Pimelic acid, 2,2,2-trichloroethyl undecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35Cl3O4
InChI InChI=1S/C20H35Cl3O4/c1-2-3-4-5-6-7-8-9-13-16-26-18(24)14-11-10-12-15-19(25)27-17-20(21,22)23/h2-17H2,1H3
InChIKey SHICRGTWFBWURG-UHFFFAOYSA-N
Molecular Weight 445.855 g/mol
SMILES C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCCCCCC)=O
SPLASH splash10-052f-9510000000-0a5d6816ac8542382018
Source of Spectrum TIPS-2022-772-0
Wiley ID 1822289