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3H-Cyclopenta[a]pentalen-3-one, 1,2,3a,4,5,6,7,7a-octahydro-5,5-dimethyl-, cis-(.+-.)-
SpectraBase Compound ID LVeSOkB5C1t
InChI InChI=1S/C13H18O/c1-13(2)6-9-5-8-3-4-11(14)12(8)10(9)7-13/h8,12H,3-7H2,1-2H3/t8-,12-/m1/s1
InChIKey ADOPJAATRJPVFS-PRHODGIISA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3UtQjOVtE9
Name 3H-Cyclopenta[a]pentalen-3-one, 1,2,3a,4,5,6,7,7a-octahydro-5,5-dimethyl-, cis-(.+-.)-
CAS Registry Number 104201-62-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-13(2)6-9-5-8-3-4-11(14)12(8)10(9)7-13/h8,12H,3-7H2,1-2H3/t8-,12-/m1/s1
InChIKey ADOPJAATRJPVFS-PRHODGIISA-N
Molecular Weight 190.286 g/mol
SMILES C12=C(C[C@@]3([C@]2(C(CC3)=O)[H])[H])CC(C1)(C)C
SPLASH splash10-0002-9200000000-f9714f458fc516d01f91
Source of Spectrum F-41-3491-52
Synonyms (3aR,7aR)-5,5-dimethyl-1,2,3a,4,5,6,7,7a-octahydro-3H-cyclopenta[a]pentalen-3-one 10,10-Dimethyl-1,8-dedihydro-tricyclo[6.3.0(1,8).0(2,6)]undecanone-3
Wiley ID 1187011