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(3E,1'R*,5'R*)-4-(5'-tert-Butyl-2',2'-dimethylcyclopentyl)but-3-en-2-one
SpectraBase Compound ID KtzJkQmUpGe
InChI InChI=1S/C15H26O/c1-11(16)7-8-13-12(14(2,3)4)9-10-15(13,5)6/h7-8,12-13H,9-10H2,1-6H3/b8-7+/t12-,13-/m1/s1
InChIKey QOXCDHHBGKCDLK-WUOSCTTQSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYNkGha2S54
Name (3E,1'R*,5'R*)-4-(5'-tert-Butyl-2',2'-dimethylcyclopentyl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
InChI InChI=1S/C15H26O/c1-11(16)7-8-13-12(14(2,3)4)9-10-15(13,5)6/h7-8,12-13H,9-10H2,1-6H3/b8-7+/t12-,13-/m1/s1
InChIKey QOXCDHHBGKCDLK-WUOSCTTQSA-N
Molecular Weight 222.372 g/mol
SMILES [C@]1(\C=C\C(=O)C)([C@@](CCC1(C)C)(C(C)(C)C)[H])[H]
SPLASH splash10-0a4l-9700000000-d27bd7969a8e131f57b9
Source of Spectrum U1-2014-561-16
Synonyms (E)-4-((1R,5R)-5-(tert-butyl)-2,2-dimethylcyclopentyl)but-3-en-2-one
Wiley ID 1740450