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4a,7-Methano-4aH-benzocyclohepten-2(5H)-one, 6,7,8,9-tetrahydro-6-hydroxy-7-methyl-, (4a.alpha.,6.beta.,7.alpha.)-(.+-.)-
SpectraBase Compound ID BKOJ3dhZ8SH
InChI InChI=1S/C13H16O2/c1-12-4-2-9-6-10(14)3-5-13(9,8-12)7-11(12)15/h3,5-6,11,15H,2,4,7-8H2,1H3/t11?,12-,13-/m1/s1
InChIKey GSSFNOHFLBECQP-VFRRUGBOSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EXaIlRK1Q
Name 4a,7-Methano-4aH-benzocyclohepten-2(5H)-one, 6,7,8,9-tetrahydro-6-hydroxy-7-methyl-, (4a.alpha.,6.beta.,7.alpha.)-(.+-.)-
CAS Registry Number 71298-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-12-4-2-9-6-10(14)3-5-13(9,8-12)7-11(12)15/h3,5-6,11,15H,2,4,7-8H2,1H3/t11?,12-,13-/m1/s1
InChIKey GSSFNOHFLBECQP-VFRRUGBOSA-N
Molecular Weight 204.269 g/mol
SMILES OC1C[C@@]23C(=CC(C=C3)=O)CC[C@@]1(C2)C
SPLASH splash10-00r6-0900000000-1a9b481ba5dd9d7b191c
Source of Spectrum B-32-820-0
Synonyms (1S,9R)-10-hydroxy-9-methyltricyclo[7.2.1.0(1,6)]dodeca-2,5-dien-4-one (4a.alpha.,6.beta.,7.alpha.)*-6-hydroxy-7-methyl-5,6,7,8-tetrahydro-4a,7-methano-4ah-benzolyclohepten-2(9H)-one
Wiley ID 1202040