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4-Methyl-3-hexanone
SpectraBase Compound ID JR9XgdJr6c6
InChI InChI=1S/C7H14O/c1-4-6(3)7(8)5-2/h6H,4-5H2,1-3H3
InChIKey ULPMRIXXHGUZFA-UHFFFAOYSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OUhCXKFWyQ
Name 4-methylhexan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-4-6(3)7(8)5-2/h6H,4-5H2,1-3H3
InChIKey ULPMRIXXHGUZFA-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973/Waters GCT Premier
Ionization Type EI
Literature Reference DOI 10.1021/np4001569
Molecular Weight 114.188 g/mol
SMILES CC(C(CC)=O)CC
SPLASH splash10-0a4i-9000000000-3460ddbb685589a7f712
Source of Spectrum G4-76-SM8-5
Wiley ID 1865761