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4a,7-Methano-4aH-benzocyclohepten-2(1H)-one, octahydro-6-hydroxy-7-methyl-, (4a.alpha.,6.beta.,7.alpha.,9a.alpha.)-(.+-.)-

View entire compound with spectra: 2 MS (GC)

4a,7-Methano-4aH-benzocyclohepten-2(1H)-one, octahydro-6-hydroxy-7-methyl-, (4a.alpha.,6.beta.,7.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID C4t2fmXwWrs
InChI InChI=1S/C13H20O2/c1-12-4-2-9-6-10(14)3-5-13(9,8-12)7-11(12)15/h9,11,15H,2-8H2,1H3/t9-,11+,12-,13+/m0/s1
InChIKey PNCMHOYIQYECGT-ZBAXXZLZSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFUAA1dejgP
Name 4a,7-Methano-4aH-benzocyclohepten-2(1H)-one, octahydro-6-hydroxy-7-methyl-, (4a.alpha.,6.beta.,7.alpha.,9a.alpha.)-(.+-.)-
CAS Registry Number 71298-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-12-4-2-9-6-10(14)3-5-13(9,8-12)7-11(12)15/h9,11,15H,2-8H2,1H3/t9-,11+,12-,13+/m0/s1
InChIKey PNCMHOYIQYECGT-ZBAXXZLZSA-N
Molecular Weight 208.301 g/mol
SMILES O[C@@]1(C[C@@]23C[C@]1(C)CC[C@]3(CC(CC2)=O)[H])[H]
SPLASH splash10-03di-1900000000-17adb4c6f8044d0dfdb3
Source of Spectrum B-32-821-0
Synonyms (1S,6S,9S,10R)-10-hydroxy-9-methyltricyclo[7.2.1.0(1,6)]dodecan-4-one 6-Hydroxy-7-methyl-1,3,5,6,7,8,9-octahydro-4ah-benzocyclohepten-2(9H)-one
Wiley ID 1207161