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Pinacolone
SpectraBase Compound ID KrlmDP4gYvI
InChI InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
InChIKey PJGSXYOJTGTZAV-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 CAxnwYXhPrP
Name Pinacolone
Comments MONAID: JP008057
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O
InChI InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
InChIKey PJGSXYOJTGTZAV-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 100.161 g/mol
SMILES CC(=O)C(C)(C)C
SPLASH splash10-0a4l-9100000000-ea0c020aaabe24c5c1b2
Source of Spectrum SRH-2022-8057-0
Synonyms 3,3-Dimethyl-2-butanone
Wiley ID 1829769