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3-Hexanone
SpectraBase Compound ID KClms6SMC3Y
InChI InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChIKey PFCHFHIRKBAQGU-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 2fKtBWIf9eU
Name 3-Hexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O
InChI InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChIKey PFCHFHIRKBAQGU-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 100.161 g/mol
SMILES CCCC(=O)CC
SPLASH splash10-054o-9000000000-8169e250ba450e2c6712
Source of Spectrum SRH-2022-6455-0
Wiley ID 1828285