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2-Pentanone
SpectraBase Compound ID 87Ud5cE2m4v
InChI InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChIKey XNLICIUVMPYHGG-UHFFFAOYSA-N
Mol Weight 86.13 g/mol
Molecular Formula C5H10O
Exact Mass 86.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n1B9crj8jv
Name Pentanone<2->
CAS Registry Number 107-87-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 86.073164941 u
Formula C5H10O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChIKey XNLICIUVMPYHGG-UHFFFAOYSA-N
Molecular Weight 86.134 g/mol
Nominal Mass 86 u
Number of Peaks 40
SMILES CC(=O)CCC
SPLASH splash10-0006-9000000000-76e7b499dd646e1cabe4
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA002007