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1H-Cyclopenta[1,3]cyclopropa[1,2]benzen-6(7H)-one, hexahydro-3a-hydroxy-3b-methyl-
SpectraBase Compound ID JdqNmA5GwyL
InChI InChI=1S/C11H16O2/c1-9-6-3-8(12)7-10(9)4-2-5-11(9,10)13/h13H,2-7H2,1H3/t9-,10-,11-/m1/s1
InChIKey JSGOFMVLCNJASC-GMTAPVOTSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jjpfoCxc0
Name 1H-Cyclopenta[1,3]cyclopropa[1,2]benzen-6(7H)-one, hexahydro-3a-hydroxy-3b-methyl-
CAS Registry Number 30841-58-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-9-6-3-8(12)7-10(9)4-2-5-11(9,10)13/h13H,2-7H2,1H3/t9-,10-,11-/m1/s1
InChIKey JSGOFMVLCNJASC-GMTAPVOTSA-N
Molecular Weight 180.247 g/mol
SMILES O[C@@]12[C@]3([C@]1(CCC(C3)=O)C)CCC2
SPLASH splash10-05o0-5900000000-da0c9ed5c281ff8a61d9
Source of Spectrum C-99-1956-0
Synonyms (1R*,5.alpha.,6.beta.)-5-hydroxy-6-methyltricyclo-[4.4.0.0(1,5)]decan-9-one (3aR,3bR,7aR)-3a-hydroxy-3b-methylhexahydro-1H-cyclopenta[2,3]cyclopropa[1,2-a]benzen-6(7H)-one
Wiley ID 1176509