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Methyl 4-methyl-3-oxooctanoate
SpectraBase Compound ID 4yf1Lk1HPQL
InChI InChI=1S/C10H18O3/c1-4-5-6-8(2)9(11)7-10(12)13-3/h8H,4-7H2,1-3H3
InChIKey KJNABNCKTKJNTQ-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 928mmES5YMU
Name Methyl 4-methyl-3-oxooctanoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-4-5-6-8(2)9(11)7-10(12)13-3/h8H,4-7H2,1-3H3
InChIKey KJNABNCKTKJNTQ-UHFFFAOYSA-N
Instrument Name Thermo Scientific ISQ OD
Ionization Type EI
Literature Reference DOI 10.1002/cbic.201900375
Molecular Weight 186.251 g/mol
Reported Formula C10H18O3
SMILES CC(C(=O)CC(=O)OC)CCCC
SPLASH splash10-05oa-9400000000-1b89cc3e43e4e22e8555
Source of Spectrum CBC-21-377-8b
Thin-Layer Chromatography Rf = 0.38 (SiO2, Hexanes/MTBE, 6:1)
Wiley ID 1839753