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3-(6,6-Dimethyl-5-oxohept-2-enyl)-cycloheptanone
SpectraBase Compound ID 2WnDqwQsy62
InChI InChI=1S/C16H26O2/c1-16(2,3)15(18)11-7-5-9-13-8-4-6-10-14(17)12-13/h5,7,13H,4,6,8-12H2,1-3H3/b7-5+
InChIKey YAEMUMFOEJCWFF-FNORWQNLSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3VjWBkqTTl
Name 3-(6,6-Dimethyl-5-oxohept-2-enyl)-cycloheptanone
CAS Registry Number 83040-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-16(2,3)15(18)11-7-5-9-13-8-4-6-10-14(17)12-13/h5,7,13H,4,6,8-12H2,1-3H3/b7-5+
InChIKey YAEMUMFOEJCWFF-FNORWQNLSA-N
Molecular Weight 250.382 g/mol
SMILES C1(=O)CC(CCCC1)C\C=C\CC(=O)C(C)(C)C
SPLASH splash10-0a4i-9400000000-3ae89dedd523d0115bad
Synonyms 3-[(2E)-6,6-Dimethyl-5-oxo-2-heptenyl]cycloheptanone 3-[(E)-5-keto-6,6-dimethyl-hept-2-enyl]cycloheptanone 3-[(E)-6,6-dimethyl-5-oxidanylidene-hept-2-enyl]cycloheptan-1-one 3-[(E)-6,6-dimethyl-5-oxo-hept-2-enyl]cycloheptanone 3-[(E)-6,6-dimethyl-5-oxohept-2-enyl]-1-cycloheptanone 3-[(E)-6,6-dimethyl-5-oxohept-2-enyl]cycloheptan-1-one
Wiley ID 1482134