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Pimelic acid, 2,6-dichlorobenzyl octyl ester
SpectraBase Compound ID CewjlxM3jS9
InChI InChI=1S/C22H32Cl2O4/c1-2-3-4-5-6-10-16-27-21(25)14-8-7-9-15-22(26)28-17-18-19(23)12-11-13-20(18)24/h11-13H,2-10,14-17H2,1H3
InChIKey DLAASHBMDLYMMY-UHFFFAOYSA-N
Mol Weight 431.4 g/mol
Molecular Formula C22H32Cl2O4
Exact Mass 430.167765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4A5NhOQL6RQ
Name Pimelic acid, 2,6-dichlorobenzyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32Cl2O4
InChI InChI=1S/C22H32Cl2O4/c1-2-3-4-5-6-10-16-27-21(25)14-8-7-9-15-22(26)28-17-18-19(23)12-11-13-20(18)24/h11-13H,2-10,14-17H2,1H3
InChIKey DLAASHBMDLYMMY-UHFFFAOYSA-N
Molecular Weight 431.400 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OCCCCCCCC)=O
SPLASH splash10-0a4l-5910000000-0426e9c43cdd3ad35e4d
Source of Spectrum TIPS-2022-741-0
Wiley ID 1822258