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(E)-3-methyl-4-oxidanylidene-pent-2-enal
SpectraBase Compound ID EShVZFJOGUB
InChI InChI=1S/C6H8O2/c1-5(3-4-7)6(2)8/h3-4H,1-2H3/b5-3+
InChIKey PEBMIJGMJUFNQE-HWKANZROSA-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 GAoFov9LCbi
Name (E)-3-methyl-4-oxidanylidene-pent-2-enal
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O2
InChI InChI=1S/C6H8O2/c1-5(3-4-7)6(2)8/h3-4H,1-2H3/b5-3+
InChIKey PEBMIJGMJUFNQE-HWKANZROSA-N
Molecular Weight 112.128 g/mol
SMILES C(\C(=C\C=O)C)(=O)C
SPLASH splash10-000t-9000000000-dfe8da4b4775dd942476
Source of Spectrum SB-48-661-4
Synonyms (E)-3-methyl-4-oxo-2-pentenal (E)-3-methyl-4-oxo-pent-2-enal (E)-4-keto-3-methyl-pent-2-enal
Wiley ID 1123181