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(4E)-4-Methyl-4-hexen-3-one
SpectraBase Compound ID JP5gVYj25RL
InChI InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h4H,5H2,1-3H3/b6-4+
InChIKey LJQNVNNQRWKTJP-GQCTYLIASA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jLzxzI2hno
Name (4E)-4-Methyl-4-hexen-3-one
CAS Registry Number 52883-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h4H,5H2,1-3H3/b6-4+
InChIKey LJQNVNNQRWKTJP-GQCTYLIASA-N
Molecular Weight 112.172 g/mol
SMILES C(\C(=C\C)C)(=O)CC
SPLASH splash10-0a59-9000000000-eae1fa9bca8d2ecc350f
Source of Spectrum NW-110-0-0
Synonyms (E)-4-methyl-4-hexen-3-one (E)-4-methylhex-4-en-3-one 4-Hexen-3-one, 4-methyl- 4-Methyl-4-hexen-3-one
Wiley ID 1123534