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Pimelic acid, 2-ethylphenyl 4-methylpent-2-yl ester
SpectraBase Compound ID QIwFDatGdl
InChI InChI=1S/C21H32O4/c1-5-18-11-9-10-12-19(18)25-21(23)14-8-6-7-13-20(22)24-17(4)15-16(2)3/h9-12,16-17H,5-8,13-15H2,1-4H3
InChIKey AEVQYMLFLUBNDJ-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmB8Ilr3J9M
Name Pimelic acid, 2-ethylphenyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-5-18-11-9-10-12-19(18)25-21(23)14-8-6-7-13-20(22)24-17(4)15-16(2)3/h9-12,16-17H,5-8,13-15H2,1-4H3
InChIKey AEVQYMLFLUBNDJ-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CC)=O)(OC(CC(C)C)C)=O
SPLASH splash10-006x-7910000000-b8bac7e116a39761d710
Source of Spectrum TIPS-2022-427-0
Wiley ID 1821944