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(3a.alpha.,3b.alpha.,6a.alpha.,7a.alpha.)-1,3,3a,3b,6,6a,7,7a-Octahydro-5-methyl-2H-cyclopenta[a]pentalen-2-one
SpectraBase Compound ID noO8pPPdFr
InChI InChI=1S/C12H16O/c1-7-2-8-4-9-5-10(13)6-12(9)11(8)3-7/h3,8-9,11-12H,2,4-6H2,1H3/t8-,9-,11-,12+/m1/s1
InChIKey MZSRWLAPHGUYFX-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 6yGZnxEmCtz
Name (3a.alpha.,3b.alpha.,6a.alpha.,7a.alpha.)-1,3,3a,3b,6,6a,7,7a-Octahydro-5-methyl-2H-cyclopenta[a]pentalen-2-one
CAS Registry Number 91633-02-2
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/h3,8-9,11-12H,2,4-6H2,1H3/t8-,9-,11-,12+/m1/s1
InChIKey MZSRWLAPHGUYFX-IQIPOGNMSA-N
Molecular Weight 176.259 g/mol
SMILES [C@@]12([C@@]3([C@](CC(C3)=O)([H])C[C@]1(CC(=C2)C)[H])[H])[H]
SPLASH splash10-003u-9000000000-f615805e5dcf3110fb3c
Source of Spectrum J-49-3851-0
Synonyms (3aS,3bR,6aS,7aR)-5-methyl-1,3,3a,3b,6,6a,7,7a-octahydro-2H-cyclopenta[a]pentalen-2-one
Wiley ID 1172718