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Pimelic acid, 2,6-dichlorobenzyl isobutyl ester
SpectraBase Compound ID 3VtvAgzZXwe
InChI InChI=1S/C18H24Cl2O4/c1-13(2)11-23-17(21)9-4-3-5-10-18(22)24-12-14-15(19)7-6-8-16(14)20/h6-8,13H,3-5,9-12H2,1-2H3
InChIKey FQZJXRBZJOBAES-UHFFFAOYSA-N
Mol Weight 375.29 g/mol
Molecular Formula C18H24Cl2O4
Exact Mass 374.105165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40wX7th9Nls
Name Pimelic acid, 2,6-dichlorobenzyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24Cl2O4
InChI InChI=1S/C18H24Cl2O4/c1-13(2)11-23-17(21)9-4-3-5-10-18(22)24-12-14-15(19)7-6-8-16(14)20/h6-8,13H,3-5,9-12H2,1-2H3
InChIKey FQZJXRBZJOBAES-UHFFFAOYSA-N
Molecular Weight 375.292 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OCC(C)C)=O
SPLASH splash10-0a4l-4900000000-f727268cdab14f94d591
Source of Spectrum TIPS-2022-736-0
Wiley ID 1822253