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2-ACETYL-4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE
SpectraBase Compound ID HkuDpjiBpZu
InChI InChI=1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h12H,4-5H2,1-3H3
InChIKey DIJDAMFZOHSRID-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4w5rQBQDMO
Name 1-Cyclohexen-3-one, 2-acetyl-1-hydroxy-5,5-dimethyl-
CAS Registry Number 125657-71-8
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h12H,4-5H2,1-3H3
InChIKey DIJDAMFZOHSRID-UHFFFAOYSA-N
Molecular Weight 182.219 g/mol
SMILES OC1=C(C(=O)CC(C)(C1)C)C(=O)C
SPLASH splash10-0035-9400000000-b1172729562439fbf0c4
Synonyms 2-Acetyl-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one
Wiley ID 1491812