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Pimelic acid, 2,6-dichlorobenzyl butyl ester
SpectraBase Compound ID 3r6As4kUyu6
InChI InChI=1S/C18H24Cl2O4/c1-2-3-12-23-17(21)10-5-4-6-11-18(22)24-13-14-15(19)8-7-9-16(14)20/h7-9H,2-6,10-13H2,1H3
InChIKey PBAUNRSKLYXXIE-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 KitELAoo1SS
Name Pimelic acid, 2,6-dichlorobenzyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24Cl2O4
InChI InChI=1S/C18H24Cl2O4/c1-2-3-12-23-17(21)10-5-4-6-11-18(22)24-13-14-15(19)8-7-9-16(14)20/h7-9H,2-6,10-13H2,1H3
InChIKey PBAUNRSKLYXXIE-UHFFFAOYSA-N
Molecular Weight 375.292 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OCCCC)=O
SPLASH splash10-0bvl-4900000000-ac842409a108591522fe
Source of Spectrum TIPS-2022-737-0
Wiley ID 1822254