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Pimelic acid, 2-ethylphenyl octyl ester
SpectraBase Compound ID JDVcKjS1y5G
InChI InChI=1S/C23H36O4/c1-3-5-6-7-8-14-19-26-22(24)17-10-9-11-18-23(25)27-21-16-13-12-15-20(21)4-2/h12-13,15-16H,3-11,14,17-19H2,1-2H3
InChIKey MKXFGDRUBAXSBH-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1HU1EnDuCG
Name Pimelic acid, 2-ethylphenyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-3-5-6-7-8-14-19-26-22(24)17-10-9-11-18-23(25)27-21-16-13-12-15-20(21)4-2/h12-13,15-16H,3-11,14,17-19H2,1-2H3
InChIKey MKXFGDRUBAXSBH-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CC)=O)(OCCCCCCCC)=O
SPLASH splash10-05bf-7910000000-be10c028a53afb3e0acb
Source of Spectrum TIPS-2022-430-0
Wiley ID 1821947