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Pimelic acid, 2,2,2-trichloroethyl nonyl ester

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Pimelic acid, 2,2,2-trichloroethyl nonyl ester
SpectraBase Compound ID AQHjEKOt5Kr
InChI InChI=1S/C18H31Cl3O4/c1-2-3-4-5-6-7-11-14-24-16(22)12-9-8-10-13-17(23)25-15-18(19,20)21/h2-15H2,1H3
InChIKey NMPHESIGPUVHPB-UHFFFAOYSA-N
Mol Weight 417.8 g/mol
Molecular Formula C18H31Cl3O4
Exact Mass 416.128793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oFqeI5M92o
Name Pimelic acid, 2,2,2-trichloroethyl nonyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31Cl3O4
InChI InChI=1S/C18H31Cl3O4/c1-2-3-4-5-6-7-11-14-24-16(22)12-9-8-10-13-17(23)25-15-18(19,20)21/h2-15H2,1H3
InChIKey NMPHESIGPUVHPB-UHFFFAOYSA-N
Molecular Weight 417.801 g/mol
SMILES C(CCCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCCCCCCC)=O
SPLASH splash10-052f-9410000000-477d211223e3c46af5f3
Source of Spectrum TIPS-2022-770-0
Wiley ID 1822287