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2-Acetylcaprylic acid methyl ester

View entire compound with spectra: 2 MS (GC)

2-Acetylcaprylic acid methyl ester
SpectraBase Compound ID 74yanO42OKn
InChI InChI=1S/C11H20O3/c1-4-5-6-7-8-10(9(2)12)11(13)14-3/h10H,4-8H2,1-3H3
InChIKey HBVHDPSYAJZFEF-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzlLDKmTkYz
Name 2-Acetylcaprylic acid methyl ester
Alternate Name(s) 2-Acetyloctanoic acid methyl ester Methyl 2-acetyloctanoate Methyl 2-ethanoyloctanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-4-5-6-7-8-10(9(2)12)11(13)14-3/h10H,4-8H2,1-3H3
InChIKey HBVHDPSYAJZFEF-UHFFFAOYSA-N
Molecular Weight 200.278 g/mol
SMILES CCCCCCC(C(=O)C)C(=O)OC
SPLASH splash10-000f-9200000000-57b5bade5350c2bc76e2
Wiley ID 1471602