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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 8FJ0OFcFIuW
Name Diacetone alcohol
CAS Registry Number 123-42-2
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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
Ionization Type Electron Ionization (EI)
Molecular Weight 116.160 g/mol
Nominal Mass 116 u
Quality 991
Retention Index 790
SMILES OC(CC(=O)C)(C)C
SPLASH splash10-052f-9100000000-d1eec09665c8c61118be
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Hydroxy-4-methylpentan-2-one
Technique GC/MS
Wiley ID DD2024_011609