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Cyclopenta[c]pentalen-3(3aH)-one, octahydro-6-methyl-, (3a.alpha.,5a.beta.,6.beta.,8aS*)-(.+-.)-
SpectraBase Compound ID DzGJuX7PudK
InChI InChI=1S/C12H18O/c1-8-4-6-12-7-5-11(13)10(12)3-2-9(8)12/h8-10H,2-7H2,1H3/t8-,9+,10+,12+/m0/s1
InChIKey FTDKUPCXBNLMJI-BTQIBKBOSA-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 GUxsEKQYsyR
Name Cyclopenta[c]pentalen-3(3aH)-one, octahydro-6-methyl-, (3a.alpha.,5a.beta.,6.beta.,8aS*)-(.+-.)-
Alternate Name(s) (1R*,5S*,8R*,9S*)-9-methyltricyclo[6.3.0.0(1,5)]undecan-4-one (3aS,5aR,6S,8aR)-6-methyloctahydrocyclopenta[c]pentalen-3(3aH)-one
CAS Registry Number 119971-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-4-6-12-7-5-11(13)10(12)3-2-9(8)12/h8-10H,2-7H2,1H3/t8-,9+,10+,12+/m0/s1
InChIKey FTDKUPCXBNLMJI-BTQIBKBOSA-N
Molecular Weight 178.275 g/mol
SMILES [C@@]123[C@@](C(=O)CC3)(CC[C@@]1([C@@](C)(CC2)[H])[H])[H]
SPLASH splash10-00bd-9700000000-2041c176d27d7c3f2c4e
Source of Spectrum C-111-3711-48
Wiley ID 1174689