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(3a.alpha.,3b.alpha.,6a.alpha.,7a.alpha.)-3a,3b,4,6a,7,7a-Hexahydro-4-methylene-3H-cyclopenta[a]pentalen-3-one
SpectraBase Compound ID LACw6cfn5RL
InChI InChI=1S/C12H12O/c1-7-2-3-8-6-9-4-5-10(13)12(9)11(7)8/h2-5,8-9,11-12H,1,6H2/t8-,9+,11-,12-/m1/s1
InChIKey APIFKLKZCYRJTH-RBLKWDMZSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XE199p3WfW
Name (3a.alpha.,3b.alpha.,6a.alpha.,7a.alpha.)-3a,3b,4,6a,7,7a-Hexahydro-4-methylene-3H-cyclopenta[a]pentalen-3-one
Alternate Name(s) (3aS,3bR,6aS,7aR)-4-methylene-3a,3b,4,6a,7,7a-hexahydro-3H-cyclopenta[a]pentalen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c1-7-2-3-8-6-9-4-5-10(13)12(9)11(7)8/h2-5,8-9,11-12H,1,6H2/t8-,9+,11-,12-/m1/s1
InChIKey APIFKLKZCYRJTH-RBLKWDMZSA-N
Molecular Weight 172.227 g/mol
SMILES [C@]12([C@]([C@]3(C(=O)C=C[C@]3(C2)[H])[H])(C(=C)C=C1)[H])[H]
SPLASH splash10-00bc-7900000000-be5ebc482a75690b9c0e
Source of Spectrum J-49-3850-0
Wiley ID 1169385