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Dodecanoic acid, 4-methyl-, methyl ester
SpectraBase Compound ID G7oIje3OO1O
InChI InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-13(2)11-12-14(15)16-3/h13H,4-12H2,1-3H3
InChIKey YMPDBAQULZTBAH-UHFFFAOYSA-N
Mol Weight 228.38 g/mol
Molecular Formula C14H28O2
Exact Mass 228.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F36gSzJIurJ
Name Methyl 4-methyldodecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-13(2)11-12-14(15)16-3/h13H,4-12H2,1-3H3
InChIKey YMPDBAQULZTBAH-UHFFFAOYSA-N
Instrument Name HP7890A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.200
Molecular Weight 228.376 g/mol
SMILES COC(CCC(CCCCCCCC)C)=O
SPLASH splash10-014i-3900000000-89969dd313e92e29aa05
Source of Spectrum BJO-7-SM27-90
Thin-Layer Chromatography Rf = 0.30 (hexane/ethyl acetate, 30:1)
Wiley ID 1867205