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4-Methyl-2-pentanone
SpectraBase Compound ID 99jAXE64w6k
InChI InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChIKey NTIZESTWPVYFNL-UHFFFAOYSA-N
Mol Weight 100.16 g/mol
Molecular Formula C6H12O
Exact Mass 100.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjyXg3iU6tu
Name 4-Methyl-2-pentanone
Alternate Name(s) Methyl-2-pentanone<4->
CAS Registry Number 108-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChIKey NTIZESTWPVYFNL-UHFFFAOYSA-N
Molecular Weight 100.161 g/mol
SMILES CC(CC(C)=O)C
SPLASH splash10-0006-9000000000-04e1bd638031055fd06d
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887625