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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 8GFdOEskkdc
Name 2-Propanone,1-(acetyloxy)
CAS Registry Number 592-20-1
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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
Ionization Type Electron Ionization (EI)
Molecular Weight 116.116 g/mol
Nominal Mass 116 u
Quality 986
Retention Index 786
SMILES C(COC(=O)C)(=O)C
SPLASH splash10-0006-9000000000-932074b8800515c6e8d2
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Acetoxyacetone 2-Oxopropyl acetate
Technique GC/MS
Wiley ID DD2024_018191