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Pimelic acid, 2,4,5-trichlorophenyl decyl ester
SpectraBase Compound ID GKQMEIkoD14
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-5-6-7-8-12-15-29-22(27)13-10-9-11-14-23(28)30-21-17-19(25)18(24)16-20(21)26/h16-17H,2-15H2,1H3
InChIKey SPJWMWDWZXQRIV-UHFFFAOYSA-N
Mol Weight 479.9 g/mol
Molecular Formula C23H33Cl3O4
Exact Mass 478.144443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcRQQfggPwj
Name Pimelic acid, 2,4,5-trichlorophenyl decyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33Cl3O4
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-5-6-7-8-12-15-29-22(27)13-10-9-11-14-23(28)30-21-17-19(25)18(24)16-20(21)26/h16-17H,2-15H2,1H3
InChIKey SPJWMWDWZXQRIV-UHFFFAOYSA-N
Molecular Weight 479.872 g/mol
SMILES C(CCCCCC(Oc1c(cc(c(c1)Cl)Cl)Cl)=O)(OCCCCCCCCCC)=O
SPLASH splash10-0006-9810000000-c520ace69c74a89f1ac3
Source of Spectrum TIPS-2022-449-0
Wiley ID 1821966