For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3UdsXKleeHI
Name 4-PENTANONE, 3,3,5,5,5-PENTADEUTERO-2-HYDROXY-2-METHYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H7D5O2
InChI InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey SWXVUIWOUIDPGS-UHFFFAOYSA-N
Instrument Name CH7
Molecular Weight 116.0834
SMILES OC(C)(C)CC(=O)C
SPLASH splash10-052e-9000000000-e48baa07e4d2a1ff59d6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany