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Methyl 2,6-dimethyloctanoate
SpectraBase Compound ID HmFtYNrtsil
InChI InChI=1S/C11H22O2/c1-5-9(2)7-6-8-10(3)11(12)13-4/h9-10H,5-8H2,1-4H3
InChIKey BGIGQIAAMYGYGF-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wknEZkixR3
Name Methyl 2,6-dimethyloctanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-5-9(2)7-6-8-10(3)11(12)13-4/h9-10H,5-8H2,1-4H3
InChIKey BGIGQIAAMYGYGF-UHFFFAOYSA-N
Instrument Name HP7890A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.200
Molecular Weight 186.295 g/mol
SMILES COC(C(CCCC(CC)C)C)=O
SPLASH splash10-052r-9300000000-4cbc990693b75341d49b
Source of Spectrum BJO-7-SM22-122c
Thin-Layer Chromatography Rf = 0.36 (hexane/ethyl acetate, 20:1)
Wiley ID 1867193