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trans-3-butyl-2-phenylcycloheptan-1-one
SpectraBase Compound ID Hsivvf73uyi
InChI InChI=1S/C17H24O/c1-2-3-9-14-12-7-8-13-16(18)17(14)15-10-5-4-6-11-15/h4-6,10-11,14,17H,2-3,7-9,12-13H2,1H3/t14-,17-/m1/s1
InChIKey LOCPPMCVRGHCJA-RHSMWYFYSA-N
Mol Weight 244.38 g/mol
Molecular Formula C17H24O
Exact Mass 244.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I67fADc7FBf
Name trans-3-butyl-2-phenylcycloheptan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O
InChI InChI=1S/C17H24O/c1-2-3-9-14-12-7-8-13-16(18)17(14)15-10-5-4-6-11-15/h4-6,10-11,14,17H,2-3,7-9,12-13H2,1H3/t14-,17-/m1/s1
InChIKey LOCPPMCVRGHCJA-RHSMWYFYSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 244.378 g/mol
SMILES C1([C@]([C@@](CCCC1)(CCCC)[H])(c1ccccc1)[H])=O
SPLASH splash10-00kf-9720000000-f1c66f570ce9a61643cf
Source of Spectrum KD-52-2382/SM19-3v
Synonyms (2R,3R)-3-butyl-2-phenylcycloheptan-1-one
Wiley ID 1803734