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2,5-Hexanedione
SpectraBase Compound ID KtiabYuhzOa
InChI InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChIKey OJVAMHKKJGICOG-UHFFFAOYSA-N
Mol Weight 114.14 g/mol
Molecular Formula C6H10O2
Exact Mass 114.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bsjx2NmZ07Y
Name Acetonyl acetone
CAS Registry Number 110-13-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O2
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/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChIKey OJVAMHKKJGICOG-UHFFFAOYSA-N
Molecular Weight 114.144 g/mol
SMILES CC(CCC(C)=O)=O
SPLASH splash10-0006-9000000000-6d5e7fcaeb1d52ede8d9
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887179