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(3E)-3-Hexene-2,5-dione
SpectraBase Compound ID 8Dlw0SE8nnB
InChI InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b4-3+
InChIKey OTSKZNVDZOOHRX-ONEGZZNKSA-N
Mol Weight 112.13 g/mol
Molecular Formula C6H8O2
Exact Mass 112.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29K4hNL40Vc
Name (3E)-3-Hexene-2,5-dione
Alternate Name(s) 3-Hexene-2,5-dione (E)-3-hexene-2,5-dione (E)-hex-3-ene-2,5-dione 1,2-Diacetylethylene NSC 11746 NSC 38025
CAS Registry Number 4436-75-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O2
InChI InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b4-3+
InChIKey OTSKZNVDZOOHRX-ONEGZZNKSA-N
Molecular Weight 112.128 g/mol
SMILES C(\C=C\C(=O)C)(=O)C
SPLASH splash10-00kf-9000000000-1072b0e67497d182789d
Source of Spectrum IC-76-0-0
Wiley ID 1123096