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4,5-dimethylheptan-3-one
SpectraBase Compound ID 7h2EfPnjxxM
InChI InChI=1S/C9H18O/c1-5-7(3)8(4)9(10)6-2/h7-8H,5-6H2,1-4H3
InChIKey IRIIDIBXOJRBDH-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 62ISvE9mc5s
Name 4,5-dimethylheptan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O
InChI InChI=1S/C9H18O/c1-5-7(3)8(4)9(10)6-2/h7-8H,5-6H2,1-4H3
InChIKey IRIIDIBXOJRBDH-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973/Waters GCT Premier
Ionization Type EI
Literature Reference DOI 10.1021/np4001569
Molecular Weight 142.242 g/mol
SMILES CC(C(C(CC)=O)C)CC
SPLASH splash10-0a4i-9000000000-ffc801d50c1296eb914f
Source of Spectrum G4-76-SM9-6
Wiley ID 1865762