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Pimelic acid, 2,3-dimethylphenyl hexyl ester
SpectraBase Compound ID LPpOnzFsy3T
InChI InChI=1S/C21H32O4/c1-4-5-6-10-16-24-20(22)14-8-7-9-15-21(23)25-19-13-11-12-17(2)18(19)3/h11-13H,4-10,14-16H2,1-3H3
InChIKey JMTZZXXJDOFTTA-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 9rF1WLPBwhM
Name Pimelic acid, 2,3-dimethylphenyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-4-5-6-10-16-24-20(22)14-8-7-9-15-21(23)25-19-13-11-12-17(2)18(19)3/h11-13H,4-10,14-16H2,1-3H3
InChIKey JMTZZXXJDOFTTA-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C(CCCCCC(Oc1cccc(c1C)C)=O)(OCCCCCC)=O
SPLASH splash10-00fr-5910000000-9357f9077ad209dcfd04
Source of Spectrum TIPS-2022-475-0
Wiley ID 1821992