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Pimelic acid, 2,6-dichlorobenzyl decyl ester
SpectraBase Compound ID IKcdA7vVWdy
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-6-7-8-12-18-29-23(27)16-10-9-11-17-24(28)30-19-20-21(25)14-13-15-22(20)26/h13-15H,2-12,16-19H2,1H3
InChIKey CZGPRDPLBWTIMM-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C24H36Cl2O4
Exact Mass 458.199065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2u4Jq22vJw
Name Pimelic acid, 2,6-dichlorobenzyl decyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36Cl2O4
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-6-7-8-12-18-29-23(27)16-10-9-11-17-24(28)30-19-20-21(25)14-13-15-22(20)26/h13-15H,2-12,16-19H2,1H3
InChIKey CZGPRDPLBWTIMM-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OCCCCCCCCCC)=O
SPLASH splash10-0a4l-5910000000-8d6c09429e6a1521e667
Source of Spectrum TIPS-2022-743-0
Wiley ID 1822260