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5,9-Methano-6H-benzocyclohepten-6-one, 5,7,8,9-tetrahydro-8-hydroxy-7,7-dimethyl-, (5.alpha.,8.alpha.,9.alpha.)-
SpectraBase Compound ID 1I8vVe0EV5p
InChI InChI=1S/C14H16O2/c1-14(2)12(15)10-7-11(13(14)16)9-6-4-3-5-8(9)10/h3-6,10-12,15H,7H2,1-2H3/t10-,11+,12-/m1/s1
InChIKey PSFFAODGWRWMHV-GRYCIOLGSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Ykfey3ac7Y
Name 5,9-Methano-6H-benzocyclohepten-6-one, 5,7,8,9-tetrahydro-8-hydroxy-7,7-dimethyl-, (5.alpha.,8.alpha.,9.alpha.)-
CAS Registry Number 67273-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-14(2)12(15)10-7-11(13(14)16)9-6-4-3-5-8(9)10/h3-6,10-12,15H,7H2,1-2H3/t10-,11+,12-/m1/s1
InChIKey PSFFAODGWRWMHV-GRYCIOLGSA-N
Molecular Weight 216.280 g/mol
SMILES O[C@@]1([C@]2(c3ccccc3[C@](C(C1(C)C)=O)([H])C2)[H])[H]
SPLASH splash10-014i-1910000000-4370b34a8f04048c2956
Source of Spectrum B-31-1138-0
Synonyms (1R,8S,11R)-11-hydroxy-10,10-dimethyltricyclo[6.3.1.0(2,7)]dodeca-2,4,6-trien-9-one exo-8-hydroxy-7,7-dimethyl-6,7,8,9-tetrahydro-5.9-methano-5H-benzocyclohepten-6-one
Wiley ID 1215855