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Pimelic acid, 2,6-dichlorobenzyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,6-dichlorobenzyl 4-methylpent-2-yl ester
SpectraBase Compound ID FK30sVg51vE
InChI InChI=1S/C20H28Cl2O4/c1-14(2)12-15(3)26-20(24)11-6-4-5-10-19(23)25-13-16-17(21)8-7-9-18(16)22/h7-9,14-15H,4-6,10-13H2,1-3H3
InChIKey XSORDIDQHFPKJP-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C20H28Cl2O4
Exact Mass 402.136465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpzGTlOw6Yq
Name Pimelic acid, 2,6-dichlorobenzyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28Cl2O4
InChI InChI=1S/C20H28Cl2O4/c1-14(2)12-15(3)26-20(24)11-6-4-5-10-19(23)25-13-16-17(21)8-7-9-18(16)22/h7-9,14-15H,4-6,10-13H2,1-3H3
InChIKey XSORDIDQHFPKJP-UHFFFAOYSA-N
Molecular Weight 403.346 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OC(CC(C)C)C)=O
SPLASH splash10-052f-5900000000-712746296fff70a208de
Source of Spectrum TIPS-2022-738-0
Wiley ID 1822255