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Pimelic acid, 8-chlorooctyl heptyl ester
SpectraBase Compound ID 1WzoAFYMxbw
InChI InChI=1S/C22H41ClO4/c1-2-3-4-8-14-19-26-21(24)16-11-10-12-17-22(25)27-20-15-9-6-5-7-13-18-23/h2-20H2,1H3
InChIKey AXUOZDJWYVEJRA-UHFFFAOYSA-N
Mol Weight 405.0 g/mol
Molecular Formula C22H41ClO4
Exact Mass 404.269337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjVJTdHYozo
Name Pimelic acid, 8-chlorooctyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H41ClO4
InChI InChI=1S/C22H41ClO4/c1-2-3-4-8-14-19-26-21(24)16-11-10-12-17-22(25)27-20-15-9-6-5-7-13-18-23/h2-20H2,1H3
InChIKey AXUOZDJWYVEJRA-UHFFFAOYSA-N
Molecular Weight 405.019 g/mol
SMILES C(CCCCCC(OCCCCCCCCCl)=O)(OCCCCCCC)=O
SPLASH splash10-0006-9820000000-885574e9fb9c40bdeafa
Source of Spectrum TIPS-2022-843-0
Wiley ID 1822360