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Diacetone alcohol

View entire compound with spectra: 8 NMR, 18 FTIR, 1 Raman, 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DB2bLkvUDb
Name 4-HYDROXY-4-METHYL-2-PENTANONE
CAS Registry Number 123-42-2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author M.SINGH,R.W.MURRAY
Literature Reference Citation J.ORG.CHEM.,57,4263(1992)
Literature Reference DOI 10.1021/jo00041a036
Molecular Weight 116.160 g/mol
Solvent CDCl3
Source File Reference UWCS1080