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2-(ACETYLOXY)-2,4-DIMETHYL-3-PENTANONE
SpectraBase Compound ID 3OlS2pl9CtP
InChI InChI=1S/C9H16O3/c1-6(2)8(11)9(4,5)12-7(3)10/h6H,1-5H3
InChIKey LQSQPIQAOXPSJD-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvrgRveWmXb
Name (1,1,3-trimethyl-2-oxo-butyl) acetate
CAS Registry Number 21980-75-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6(2)8(11)9(4,5)12-7(3)10/h6H,1-5H3
InChIKey LQSQPIQAOXPSJD-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(C(=O)C(C)C)(OC(=O)C)(C)C
SPLASH splash10-0k96-9400000000-d18d7749f05a941ed36b
Source of Spectrum J-57-4268-0
Synonyms (2,4-dimethyl-3-oxidanylidene-pentan-2-yl) ethanoate (2,4-dimethyl-3-oxopentan-2-yl) acetate Acetic acid (2,4-dimethyl-3-oxopentan-2-yl) ester Acetic acid (2-keto-1,1,3-trimethyl-butyl) ester
Wiley ID 1168808