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(E)-6,6-dimethyl-3-hepten-2-one
SpectraBase Compound ID 5JNakbefylW
InChI InChI=1S/C9H16O/c1-8(10)6-5-7-9(2,3)4/h5-6H,7H2,1-4H3/b6-5+
InChIKey ODIWAYIMVVHHLK-AATRIKPKSA-N
Mol Weight 140.23 g/mol
Molecular Formula C9H16O
Exact Mass 140.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWMCrK5AYNW
Name (E)-6,6-dimethyl-3-hepten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-8(10)6-5-7-9(2,3)4/h5-6H,7H2,1-4H3/b6-5+
InChIKey ODIWAYIMVVHHLK-AATRIKPKSA-N
Literature Reference DOI 10.1002/adsc.200900902
Molecular Weight 140.226 g/mol
SMILES C(C(C)(C)C)\C=C\C(C)=O
SPLASH splash10-053u-9000000000-d4fe26873459a111f154
Source of Spectrum ASC-352-1135/SM16-6g
Synonyms (E)-6,6-dimethylhept-3-en-2-one
Wiley ID 1764417