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4,5,5-Trimethyl-3-hexanone
SpectraBase Compound ID Dmp92E2uV34
InChI InChI=1S/C9H18O/c1-6-8(10)7(2)9(3,4)5/h7H,6H2,1-5H3
InChIKey NIZGHKWTGTZAQQ-UHFFFAOYSA-N
Mol Weight 142.24 g/mol
Molecular Formula C9H18O
Exact Mass 142.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRbne8BfGYN
Name 4,5,5-Trimethyl-3-hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O
InChI InChI=1S/C9H18O/c1-6-8(10)7(2)9(3,4)5/h7H,6H2,1-5H3
InChIKey NIZGHKWTGTZAQQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19801131208
Molecular Weight 142.242 g/mol
SMILES CCC(C(C)C(C)(C)C)=O
SPLASH splash10-0a4r-9000000000-c88564f7f6dfc69cf975
Source of Spectrum K-113-3752-32
Synonyms 4,5,5-trimethylhexan-3-one
Wiley ID 1792624