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Pimelic acid, 2,2,2-trichloroethyl dodecyl ester
SpectraBase Compound ID ATuXyOHY22i
InChI InChI=1S/C21H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-14-17-27-19(25)15-12-11-13-16-20(26)28-18-21(22,23)24/h2-18H2,1H3
InChIKey SLKLYWWZNANEDW-UHFFFAOYSA-N
Mol Weight 459.9 g/mol
Molecular Formula C21H37Cl3O4
Exact Mass 458.175743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Pq3ByLlSLH
Name Pimelic acid, 2,2,2-trichloroethyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37Cl3O4
InChI InChI=1S/C21H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-14-17-27-19(25)15-12-11-13-16-20(26)28-18-21(22,23)24/h2-18H2,1H3
InChIKey SLKLYWWZNANEDW-UHFFFAOYSA-N
Molecular Weight 459.882 g/mol
SMILES C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-052f-9410000000-d8f0b4833b23e2dd90e6
Source of Spectrum TIPS-2022-773-0
Wiley ID 1822290