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2-Acetylhexanoic acid butyl ester
SpectraBase Compound ID D5qJiC6Hi5I
InChI InChI=1S/C12H22O3/c1-4-6-8-11(10(3)13)12(14)15-9-7-5-2/h11H,4-9H2,1-3H3
InChIKey JKOLDFXYTUGUPX-UHFFFAOYSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LzBlh51Fsf
Name 2-Acetylhexanoic acid butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-4-6-8-11(10(3)13)12(14)15-9-7-5-2/h11H,4-9H2,1-3H3
InChIKey JKOLDFXYTUGUPX-UHFFFAOYSA-N
Molecular Weight 214.305 g/mol
SMILES C(C(=O)OCCCC)(C(=O)C)CCCC
SPLASH splash10-002f-9000000000-f04a31447d355abf898c
Source of Spectrum IC-546-0-0
Synonyms Butyl 2-acetylhexanoate Butyl 2-ethanoylhexanoate
Wiley ID 1213590