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Pimelic acid, di(2,6-dichlorobenzyl) ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, di(2,6-dichlorobenzyl) ester
SpectraBase Compound ID 62MSE7P3Nw8
InChI InChI=1S/C21H20Cl4O4/c22-16-6-4-7-17(23)14(16)12-28-20(26)10-2-1-3-11-21(27)29-13-15-18(24)8-5-9-19(15)25/h4-9H,1-3,10-13H2
InChIKey IENCBMAWBOAAIG-UHFFFAOYSA-N
Mol Weight 478.2 g/mol
Molecular Formula C21H20Cl4O4
Exact Mass 476.01157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2p32R275vo2
Name Pimelic acid, di(2,6-dichlorobenzyl) ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20Cl4O4
InChI InChI=1S/C21H20Cl4O4/c22-16-6-4-7-17(23)14(16)12-28-20(26)10-2-1-3-11-21(27)29-13-15-18(24)8-5-9-19(15)25/h4-9H,1-3,10-13H2
InChIKey IENCBMAWBOAAIG-UHFFFAOYSA-N
Molecular Weight 478.199 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OCc1c(cccc1Cl)Cl)=O
SPLASH splash10-0bt9-1900000000-bb82345bda2f14d2143a
Source of Spectrum TIPS-2022-746-0
Wiley ID 1822263