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(2-ethyl-1-methyl-5-oxo-heptyl) acetate
SpectraBase Compound ID 2Sf5wX6csx5
InChI InChI=1S/C12H22O3/c1-5-11(7-8-12(14)6-2)9(3)15-10(4)13/h9,11H,5-8H2,1-4H3
InChIKey BDZPDNGYOZPSHE-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 7cnjhrgNZPv
Name (2-ethyl-1-methyl-5-oxo-heptyl) acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-5-11(7-8-12(14)6-2)9(3)15-10(4)13/h9,11H,5-8H2,1-4H3
InChIKey BDZPDNGYOZPSHE-UHFFFAOYSA-N
Molecular Weight 214.305 g/mol
SMILES CCC(=O)CCC(CC)C(OC(=O)C)C
SPLASH splash10-054o-9300000000-05d779082aed6ff9a4d7
Synonyms (3-ethyl-6-oxidanylidene-octan-2-yl) ethanoate (3-ethyl-6-oxooctan-2-yl) acetate Acetic acid (2-ethyl-5-keto-1-methyl-heptyl) ester Acetic acid (3-ethyl-6-oxooctan-2-yl) ester Octan-6-one-2-ol, 3-ethyl-, acetate
Wiley ID 1478176