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1.beta.-n-Butyl-8-methyl-(6H.beta.)-bicyclo[4.4.1]undeca-2,4,8-trien-11-one
SpectraBase Compound ID 7pET1BhymlV
InChI InChI=1S/C16H22O/c1-3-4-9-16-10-6-5-7-14(15(16)17)12-13(2)8-11-16/h5-8,10,14H,3-4,9,11-12H2,1-2H3/t14-,16+/m1/s1
InChIKey ROLPNZAWTYASJN-ZBFHGGJFSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NKtLWqEhpH
Name 1.beta.-n-Butyl-8-methyl-(6H.beta.)-bicyclo[4.4.1]undeca-2,4,8-trien-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-3-4-9-16-10-6-5-7-14(15(16)17)12-13(2)8-11-16/h5-8,10,14H,3-4,9,11-12H2,1-2H3/t14-,16+/m1/s1
InChIKey ROLPNZAWTYASJN-ZBFHGGJFSA-N
Molecular Weight 230.351 g/mol
SMILES C1([C@@]2(CC=C(C[C@]1(C=CC=C2)[H])C)CCCC)=O
SPLASH splash10-001i-0910000000-7ec93860da90442ab7b7
Source of Spectrum C-115-1394-0
Synonyms (1R,6S)-1-butyl-8-methylbicyclo[4.4.1]undeca-2,4,8-trien-11-one
Wiley ID 1232357