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4-Hepten-3-one, 2,6-dimethyl-
SpectraBase Compound ID IAX6WDbJEfe
InChI InChI=1S/C9H16O/c1-7(2)5-6-9(10)8(3)4/h5-8H,1-4H3/b6-5+
InChIKey FXHCGFPVKLZHCE-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 JAbeUBq9CsL
Name 4-Hepten-3-one, 2,6-dimethyl-
CAS Registry Number 56259-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O
InChI InChI=1S/C9H16O/c1-7(2)5-6-9(10)8(3)4/h5-8H,1-4H3/b6-5+
InChIKey FXHCGFPVKLZHCE-AATRIKPKSA-N
Molecular Weight 140.226 g/mol
SMILES CC(C)\C=C\C(=O)C(C)C
SPLASH splash10-0005-9000000000-a85fd1761385711d8170
Source of Spectrum SD-1981-0-0
Synonyms (4E)-2,6-Dimethyl-4-hepten-3-one (E)-2,6-dimethyl-4-hepten-3-one (E)-2,6-dimethylhept-4-en-3-one AI3-26203
Wiley ID 1139625