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(3a.alpha.,3b.alpha.,6a.alpha.,7a.alpha.)-1,3,3a,3b,4,6a,7,7a-Octahydro-5-methyl-2H-cyclopenta[a]pentalen-2-one
SpectraBase Compound ID GpmTCZm6v9y
InChI InChI=1S/C12H16O/c1-7-2-8-4-9-5-10(13)6-12(9)11(8)3-7/h2,8-9,11-12H,3-6H2,1H3/t8-,9-,11-,12+/m1/s1
InChIKey LZBDAGDHCSZOCX-IQIPOGNMSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ptxVMxVNA
Name (3a.alpha.,3b.alpha.,6a.alpha.,7a.alpha.)-1,3,3a,3b,4,6a,7,7a-Octahydro-5-methyl-2H-cyclopenta[a]pentalen-2-one
CAS Registry Number 91633-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-7-2-8-4-9-5-10(13)6-12(9)11(8)3-7/h2,8-9,11-12H,3-6H2,1H3/t8-,9-,11-,12+/m1/s1
InChIKey LZBDAGDHCSZOCX-IQIPOGNMSA-N
Molecular Weight 176.259 g/mol
SMILES [C@]12([C@](C=C(C2)C)(C[C@]2([C@@]1(CC(=O)C2)[H])[H])[H])[H]
SPLASH splash10-0036-9100000000-85def6ec1820b5154fb8
Source of Spectrum J-49-3852-0
Synonyms (3aS,3bS,6aR,7aR)-5-methyl-1,3,3a,3b,4,6a,7,7a-octahydro-2H-cyclopenta[a]pentalen-2-one
Wiley ID 1172719