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Dodecanoic acid, 10-methyl-, methyl ester
SpectraBase Compound ID LTElX85SsTP
InChI InChI=1S/C14H28O2/c1-4-13(2)11-9-7-5-6-8-10-12-14(15)16-3/h13H,4-12H2,1-3H3
InChIKey TXYNTTGOJGLDCB-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 Dlv5hMsZUvN
Name 10-methyldodecanoate
CAS Registry Number 5129-65-7
Classification Fatty esters; Fatty acid methyl esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 228.208930140 u
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-4-13(2)11-9-7-5-6-8-10-12-14(15)16-3/h13H,4-12H2,1-3H3
InChIKey TXYNTTGOJGLDCB-UHFFFAOYSA-N
Molecular Weight 228.376 g/mol
Number of Peaks 50
RI2 1276
RI4 1593
RI5 1273
SMILES C(CCCCCCCCC(CC)C)(=O)OC
SPLASH splash10-05g3-9200000000-6c1e9473345c9643484f
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Dodecanoic acid, 10-methyl-, methyl ester Me. C13:0 anteiso
Wiley ID LM_LIPIDS2016_155