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7H-Cyclopenta[a]pentalen-7-one, 1,2,3,3a,3b,4,5,7a-octahydro-3-methyl-, (3.alpha.,3a.alpha.,3b.beta.,7a.alpha.)-
SpectraBase Compound ID 3ltE6n9uOo6
InChI InChI=1S/C12H16O/c1-7-5-6-10-11(7)8-3-2-4-9(8)12(10)13/h4,7-8,10-11H,2-3,5-6H2,1H3/t7-,8+,10-,11-/m1/s1
InChIKey GGIGXMHCJLHREX-JZSSXWJLSA-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 A8L5N0ZkOMK
Name 7H-Cyclopenta[a]pentalen-7-one, 1,2,3,3a,3b,4,5,7a-octahydro-3-methyl-, (3.alpha.,3a.alpha.,3b.beta.,7a.alpha.)-
CAS Registry Number 118451-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-7-5-6-10-11(7)8-3-2-4-9(8)12(10)13/h4,7-8,10-11H,2-3,5-6H2,1H3/t7-,8+,10-,11-/m1/s1
InChIKey GGIGXMHCJLHREX-JZSSXWJLSA-N
Molecular Weight 176.259 g/mol
SMILES C=12C([C@@]3(CC[C@]([C@@]3([C@]2(CCC1)[H])[H])(C)[H])[H])=O
SPLASH splash10-0006-9100000000-351375fa8e0a7b219bda
Source of Spectrum F-44-4059-6
Synonyms (3a.alpha.,3b.beta.,6a.beta.)-2,3,3a,3b,4,5,6,6a-octahydro-3b-methyl-1H-cyclopenta[a]pentalen-7-one (3R,3aR,3bR,7aR)-3-methyl-1,2,3,3a,3b,4,5,7a-octahydro-7H-cyclopenta[a]pentalen-7-one
Wiley ID 1172739