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Pimelic acid, 2,2,2-trichloroethyl hexadecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,2,2-trichloroethyl hexadecyl ester
SpectraBase Compound ID EaAkm689Xy7
InChI InChI=1S/C25H45Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-31-23(29)19-16-15-17-20-24(30)32-22-25(26,27)28/h2-22H2,1H3
InChIKey ONMDODZOYXDUDJ-UHFFFAOYSA-N
Mol Weight 516.0 g/mol
Molecular Formula C25H45Cl3O4
Exact Mass 514.238343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GsL8b0CR2n
Name Pimelic acid, 2,2,2-trichloroethyl hexadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H45Cl3O4
InChI InChI=1S/C25H45Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-31-23(29)19-16-15-17-20-24(30)32-22-25(26,27)28/h2-22H2,1H3
InChIKey ONMDODZOYXDUDJ-UHFFFAOYSA-N
Molecular Weight 515.990 g/mol
SMILES C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9520000000-598ad23dc8d810f8c9a9
Source of Spectrum TIPS-2022-777-0
Wiley ID 1822294