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E-5-METHYL-4-HEPTEN-3-ONE
SpectraBase Compound ID K30iELAqopo
InChI InChI=1S/C8H14O/c1-4-7(3)6-8(9)5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKey XJEHTASYOBAEDB-VOTSOKGWSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCalZ8x4ASJ
Name (4E)-5-Methyl-4-hepten-3-one
CAS Registry Number 20685-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-4-7(3)6-8(9)5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKey XJEHTASYOBAEDB-VOTSOKGWSA-N
Molecular Weight 126.199 g/mol
SMILES C(=O)(CC)\C=C/(C)CC
SPLASH splash10-002e-9000000000-11b8409d639977b853ee
Synonyms (4Z)-5-Methyl-4-hepten-3-one 4-Hepten-3-one, 5-methyl-, (Z)- (E)-5-methyl-4-hepten-3-one (E)-5-methylhept-4-en-3-one 4-Hepten-3-one, 5-methyl-, (E)- 4-Hepten-3-one, 5-methyl- 5-Methyl-4-hepten-3-one
Wiley ID 1505655