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Pimelic acid, 2,2,2-trichloroethyl octyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,2,2-trichloroethyl octyl ester
SpectraBase Compound ID 6cE6BmH8Vnw
InChI InChI=1S/C17H29Cl3O4/c1-2-3-4-5-6-10-13-23-15(21)11-8-7-9-12-16(22)24-14-17(18,19)20/h2-14H2,1H3
InChIKey WQLACPFAYGBUPT-UHFFFAOYSA-N
Mol Weight 403.77 g/mol
Molecular Formula C17H29Cl3O4
Exact Mass 402.113143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYWh8QInSWA
Name Pimelic acid, 2,2,2-trichloroethyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29Cl3O4
InChI InChI=1S/C17H29Cl3O4/c1-2-3-4-5-6-10-13-23-15(21)11-8-7-9-12-16(22)24-14-17(18,19)20/h2-14H2,1H3
InChIKey WQLACPFAYGBUPT-UHFFFAOYSA-N
Molecular Weight 403.774 g/mol
SMILES C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCCC)=O
SPLASH splash10-0006-9410000000-33d98ef973343b06cdd7
Source of Spectrum TIPS-2022-769-0
Wiley ID 1822286