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(3aR,5aS,6R,8aS)-2,6-Dimethyl-3,3a,4,5,5a,6,7,8-octahydrocyclopenta[c]pentalen-3-one
SpectraBase Compound ID BdZC4XcEVYy
InChI InChI=1S/C13H18O/c1-8-5-6-13-7-9(2)12(14)11(13)4-3-10(8)13/h7-8,10-11H,3-6H2,1-2H3/t8-,10+,11+,13+/m1/s1
InChIKey MLMXZBQZZJYFKP-BQUSMCMVSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQ44W2YwUGq
Name (3aR,5aS,6R,8aS)-2,6-Dimethyl-3,3a,4,5,5a,6,7,8-octahydrocyclopenta[c]pentalen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-8-5-6-13-7-9(2)12(14)11(13)4-3-10(8)13/h7-8,10-11H,3-6H2,1-2H3/t8-,10+,11+,13+/m1/s1
InChIKey MLMXZBQZZJYFKP-BQUSMCMVSA-N
Molecular Weight 190.286 g/mol
SMILES [C@@]123C=C(C)C([C@@]3(CC[C@]1([C@](C)(CC2)[H])[H])[H])=O
SPLASH splash10-052o-0900000000-28fcf4a91945e25bec2a
Source of Spectrum J-63-2703-19
Synonyms (3aR,5aS,6R,8aR)-2,6-Dimethyl-3,3a,4,5,5a,6,7,8-octahydrocyclopenta[c]pentalen-3-one (3aR,5aS,6R,8aS)-2,6-dimethyl-4,5,5a,6,7,8-hexahydrocyclopenta[c]pentalen-3(3aH)-one
Wiley ID 1187114