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Diacetone alcohol

View entire compound with spectra: 8 NMR, 18 FTIR, and 38 MS (GC)

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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 505iDpv3X0Z
Name 4-Hydroxy-4-methyl-2-pentanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number H41544
CAS Registry Number 123-42-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey SWXVUIWOUIDPGS-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Diacetone alcohol
Wiley ID SIAL_1HNMR_011968