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2,4-Heptanedione, 6,6-dimethyl-
SpectraBase Compound ID 7bng6zY4qqJ
InChI InChI=1S/C9H16O2/c1-7(10)5-8(11)6-9(2,3)4/h5-6H2,1-4H3
InChIKey XOXBJAGFQHAKII-UHFFFAOYSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AepXPHkrdWP
Name 2,4-Heptanedione, 6,6-dimethyl-
CAS Registry Number 7307-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-7(10)5-8(11)6-9(2,3)4/h5-6H2,1-4H3
InChIKey XOXBJAGFQHAKII-UHFFFAOYSA-N
Molecular Weight 156.225 g/mol
SMILES CC(CC(CC(C)=O)=O)(C)C
SPLASH splash10-002u-9100000000-e64f4831753e65394fea
Synonyms 6,6-Dimethyl-2,4-heptanedione 6,6-Dimethylheptane-2,4-dione 6,6-Dimethylheptane-2,4-dione, enol form
Wiley ID 1476896