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2-Acetyl-decanoic acid, ethyl ester

View entire compound with spectra: 3 NMR, 2 FTIR, and 2 MS (GC)

2-Acetyl-decanoic acid, ethyl ester
SpectraBase Compound ID Fda0cbrUQXW
InChI InChI=1S/C14H26O3/c1-4-6-7-8-9-10-11-13(12(3)15)14(16)17-5-2/h13H,4-11H2,1-3H3
InChIKey APTZVOCKCUIHMY-UHFFFAOYSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TmIC5uVaL0
Name 2-Acetylcapric acid ethyl ester
Alternate Name(s) Ethyl 2-acetyldecanoate Ethyl 2-ethanoyldecanoate
CAS Registry Number 24317-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-4-6-7-8-9-10-11-13(12(3)15)14(16)17-5-2/h13H,4-11H2,1-3H3
InChIKey APTZVOCKCUIHMY-UHFFFAOYSA-N
Molecular Weight 242.359 g/mol
SMILES C(CC(C(C)=O)C(=O)OCC)CCCCCC
SPLASH splash10-0f6x-9600000000-a926fec9502dfa96c55c
Wiley ID 1474784