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Pimelic acid, di(8-chlorooctyl) ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, di(8-chlorooctyl) ester
SpectraBase Compound ID Eruo6hasGVk
InChI InChI=1S/C23H42Cl2O4/c24-18-12-5-1-3-7-14-20-28-22(26)16-10-9-11-17-23(27)29-21-15-8-4-2-6-13-19-25/h1-21H2
InChIKey FXYMTFNFSYDHIT-UHFFFAOYSA-N
Mol Weight 453.5 g/mol
Molecular Formula C23H42Cl2O4
Exact Mass 452.246015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlNeyJ1pIIf
Name Pimelic acid, di(8-chlorooctyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H42Cl2O4
InChI InChI=1S/C23H42Cl2O4/c24-18-12-5-1-3-7-14-20-28-22(26)16-10-9-11-17-23(27)29-21-15-8-4-2-6-13-19-25/h1-21H2
InChIKey FXYMTFNFSYDHIT-UHFFFAOYSA-N
Molecular Weight 453.491 g/mol
SMILES C(CCCCCC(OCCCCCCCCCl)=O)(OCCCCCCCCCl)=O
SPLASH splash10-002f-8910000000-a2617ff53fe6f95d209f
Source of Spectrum TIPS-2022-850-0
Wiley ID 1822367