For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5gkZgFdSATW
Name (4E)-4-Methyl-4-hexen-3-one
Alternate Name(s) (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
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 splash10-0a59-9000000000-464afb827b5b7f591507
Wiley ID 1494180