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1-ALPHA,7-BETA,9-ALPHA-1-HYDROXY-3,6,6,9-TETRAMETHYLBICYCLO-[5.4.0]-UNDEC
SpectraBase Compound ID JoZPiP7FOmK
InChI InChI=1S/C15H24O2/c1-10-5-7-14(3,4)13-12(16)11(2)6-8-15(13,17)9-10/h5,11,13,17H,6-9H2,1-4H3/t11-,13+,15-/m1/s1
InChIKey MLKJSIIRGIPDGR-OSAQELSMSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1Utcsol60s
Name (2R,4aR,9aS)-2,6,9,9-tetramethyl-4a-oxidanyl-2,3,4,5,8,9a-hexahydrobenzo[7]annulen-1-one
Classification Tertiary alcohols
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 236.177630011 u
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-10-5-7-14(3,4)13-12(16)11(2)6-8-15(13,17)9-10/h5,11,13,17H,6-9H2,1-4H3/t11-,13+,15-/m1/s1
InChIKey MLKJSIIRGIPDGR-OSAQELSMSA-N
Molecular Weight 236.355 g/mol
Number of Peaks 16
SMILES O[C@@]12CC[C@](C([C@]1(C(C)(C)CC=C(C2)C)[H])=O)(C)[H]
SPLASH splash10-03gi-9700000000-6cacb32dc5a9442ce15e
Source of Spectrum FF-21-847-8 (DOI: 10.1002/ffj.1736)
Synonyms 1-.alpha.,7-.beta.,9-.alpha.-1-Hydroxy-3,6,6,9-tetramethylbicyclo-[5.4.0]undec-3-en-8-one (2R,4aR,9aS)-4a-hydroxy-2,6,9,9-tetramethyl-2,3,4,5,8,9a-hexahydrobenzocyclohepten-1-one (2R,4aR,9aS)-4a-hydroxy-2,6,9,9-tetramethyl-2,3,4,5,8,9a-hexahydrobenzo[7]annulen-1-one (2R,4aR,9aS)-4a-hydroxy-2,6,9,9-tetramethyl-2,3,4,4a,5,8,9,9a-octahydro-1H-benzo[7]annulen-1-one
Wiley ID 1775473