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Acetic acid 1-acetyl-hexyl ester
SpectraBase Compound ID 579H79TyR5Q
InChI InChI=1S/C10H18O3/c1-4-5-6-7-10(8(2)11)13-9(3)12/h10H,4-7H2,1-3H3
InChIKey JXWARNSYGHBBIH-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 5UEr7OAZhoU
Name Acetic acid 1-acetyl-hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-4-5-6-7-10(8(2)11)13-9(3)12/h10H,4-7H2,1-3H3
InChIKey JXWARNSYGHBBIH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800355
Molecular Weight 186.251 g/mol
SMILES C(=O)(OC(CCCCC)C(=O)C)C
SPLASH splash10-0006-9000000000-f0587b73473e6921ff4d
Source of Spectrum ASC-350-2414/SM15-5f
Synonyms 2-Oxooctan-3-yl acetate Acetic acid 2-oxooctan-3-yl ester 1-Acetylhexyl acetate 2-Oxidanylideneoctan-3-yl ethanoate
Wiley ID 1765798