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Acetol acetate
SpectraBase Compound ID 1hTfdouYLwQ
InChI InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
InChIKey DBERHVIZRVGDFO-UHFFFAOYSA-N
Mol Weight 116.12 g/mol
Molecular Formula C5H8O3
Exact Mass 116.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7i5L2sYvyn
Name 1-Acetoxy-2-propanone
CAS Registry Number 592-20-1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 116.047344115 u
Formula C5H8O3
InChI InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
InChIKey DBERHVIZRVGDFO-UHFFFAOYSA-N
Molecular Weight 116.116 g/mol
Number of Peaks 35
RI1 861
RI2 522
SMILES C(C)(=O)OCC(C)=O
SPLASH splash10-0006-9000000000-e79bc52153c7732e468d
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Propanone, 1-(acetyloxy)-
Wiley ID LM_FFNSC3_3391