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(3S*,3aS*,5aR*,8aS*)-3-Methyloctahydrocyclopenta[c]pentalen-4(5H)-one
SpectraBase Compound ID CPtYYTkU9hb
InChI InChI=1S/C12H18O/c1-8-4-6-12-5-2-3-9(12)7-10(13)11(8)12/h8-9,11H,2-7H2,1H3/t8-,9+,11+,12-/m0/s1
InChIKey ABLSKSZNILWYHJ-SPFNVWMYSA-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 28VTWRMqHJU
Name (3S*,3aS*,5aR*,8aS*)-3-Methyloctahydrocyclopenta[c]pentalen-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-4-6-12-5-2-3-9(12)7-10(13)11(8)12/h8-9,11H,2-7H2,1H3/t8-,9+,11+,12-/m0/s1
InChIKey ABLSKSZNILWYHJ-SPFNVWMYSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]123[C@@](C(=O)C[C@]3(CCC1)[H])([C@@](C)(CC2)[H])[H]
SPLASH splash10-0570-7900000000-080c5fb35ab9aa24fb73
Source of Spectrum QF-10-870-36
Synonyms (3S,3aS,5aR,8aS)-3-methyloctahydrocyclopenta[c]pentalen-4(5H)-one
Wiley ID 1559298