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(+-)-(3a.alpha.,6.alpha.,9a.beta.)-Decahydro-3a,6-methano-3aH-cyclopentacycloocten-1-one
SpectraBase Compound ID 8CokVOIIDEt
InChI InChI=1S/C12H18O/c13-11-5-7-12-6-4-9(8-12)2-1-3-10(11)12/h9-10H,1-8H2/t9-,10-,12+/m1/s1
InChIKey ZWGDISCFVDMHIE-FOGDFJRCSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MX1JkIuiM4
Name (+-)-(3a.alpha.,6.alpha.,9a.beta.)-Decahydro-3a,6-methano-3aH-cyclopentacycloocten-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H18O
InChI InChI=1S/C12H18O/c13-11-5-7-12-6-4-9(8-12)2-1-3-10(11)12/h9-10H,1-8H2/t9-,10-,12+/m1/s1
InChIKey ZWGDISCFVDMHIE-FOGDFJRCSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]123[C@@](C(=O)CC3)(CCC[C@](C1)([H])CC2)[H]
SPLASH splash10-004i-9500000000-987f141181b0d7d906ba
Source of Spectrum C-118-2869-0
Synonyms (1S,5S,9R)-tricyclo[7.2.1.0(1,5)]dodecan-4-one
Wiley ID 759577