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Diacetone alcohol
SpectraBase Compound ID EewLZs4mM4K
InChI InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey SWXVUIWOUIDPGS-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gq9DEo8kPA
Name 2-PENTANONE, 4-HYDROXY-4-METHYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Exact Mass 116.083729624 u
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey SWXVUIWOUIDPGS-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
Nominal Mass 116 u
Number of Peaks 26
SMILES CC(CC(C)(C)O)=O
SPLASH splash10-052f-9000000000-fdf505e5bac426d08598
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_000208