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Ficusone [6.alpha.-Hydroxy-6.beta.-(2'-hydroxyethyl)-1,1,5-trimethylcyclohexanone]
SpectraBase Compound ID BFkSbrCiU2h
InChI InChI=1S/C11H20O3/c1-8-6-9(13)7-10(2,3)11(8,14)4-5-12/h8,12,14H,4-7H2,1-3H3/t8-,11-/m0/s1
InChIKey RMJIDUQSRDEZRN-KWQFWETISA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM3DAFeMTp8
Name Ficusone [6.alpha.-Hydroxy-6.beta.-(2'-hydroxyethyl)-1,1,5-trimethylcyclohexanone]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-8-6-9(13)7-10(2,3)11(8,14)4-5-12/h8,12,14H,4-7H2,1-3H3/t8-,11-/m0/s1
InChIKey RMJIDUQSRDEZRN-KWQFWETISA-N
Molecular Weight 200.278 g/mol
SMILES OCC[C@]1(C(CC(C[C@@]1(C)[H])=O)(C)C)O
SPLASH splash10-0udi-0960000000-fa3833f9bd92e035f2ea
Source of Spectrum E2-47-301-1
Synonyms (4S,5S)-4-hydroxy-4-(2-hydroxyethyl)-3,3,5-trimethyl-1-cyclohexanone (4S,5S)-4-hydroxy-4-(2-hydroxyethyl)-3,3,5-trimethylcyclohexan-1-one (4S,5S)-4-(2-hydroxyethyl)-3,3,5-trimethyl-4-oxidanyl-cyclohexan-1-one
Wiley ID 1554781