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Pimelic acid, 2,2,2-trichloroethyl tridecyl ester
SpectraBase Compound ID BCAlv5FKazu
InChI InChI=1S/C22H39Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-28-20(26)16-13-12-14-17-21(27)29-19-22(23,24)25/h2-19H2,1H3
InChIKey YCBJCSNRWAQNDP-UHFFFAOYSA-N
Mol Weight 473.9 g/mol
Molecular Formula C22H39Cl3O4
Exact Mass 472.191393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jXlHYTfrGN
Name Pimelic acid, 2,2,2-trichloroethyl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H39Cl3O4
InChI InChI=1S/C22H39Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-28-20(26)16-13-12-14-17-21(27)29-19-22(23,24)25/h2-19H2,1H3
InChIKey YCBJCSNRWAQNDP-UHFFFAOYSA-N
Molecular Weight 473.909 g/mol
SMILES C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9520000000-a79b761164f021d0770b
Source of Spectrum TIPS-2022-774-0
Wiley ID 1822291