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4-Benzylidene-2,2-dimethylbicyclo[3.2.1]oct-6-en-3-one
SpectraBase Compound ID DGPWB2vnSb1
InChI InChI=1S/C17H18O/c1-17(2)14-9-8-13(11-14)15(16(17)18)10-12-6-4-3-5-7-12/h3-10,13-14H,11H2,1-2H3/b15-10+
InChIKey LQTVKUWEQIKXAF-XNTDXEJSSA-N
Mol Weight 238.33 g/mol
Molecular Formula C17H18O
Exact Mass 238.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79GLCix62RP
Name 4-Benzylidene-2,2-dimethylbicyclo[3.2.1]oct-6-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O
InChI InChI=1S/C17H18O/c1-17(2)14-9-8-13(11-14)15(16(17)18)10-12-6-4-3-5-7-12/h3-10,13-14H,11H2,1-2H3/b15-10+
InChIKey LQTVKUWEQIKXAF-XNTDXEJSSA-N
Molecular Weight 238.330 g/mol
SMILES C1(\C(C2CC(C1(C)C)C=C2)=C\c1ccccc1)=O
SPLASH splash10-00ko-5950000000-32f6dafababaf4b6ad71
Source of Spectrum H-76-2206-17
Synonyms (4E)-4-benzylidene-2,2-dimethylbicyclo[3.2.1]oct-6-en-3-one
Wiley ID 1241544