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rel-(3aR,5aS,9S,9aR)-3a,4,5,5a,8,9-hexahydro-5a,9-dimethyl-3H-cyclopent[c]inden-3-one
SpectraBase Compound ID JfYNAquekSF
InChI InChI=1S/C14H18O/c1-10-4-3-7-13(2)8-5-11-12(15)6-9-14(10,11)13/h3,6-7,9-11H,4-5,8H2,1-2H3/t10-,11-,13+,14-/m0/s1
InChIKey KPIBVVCZLLOEMS-VTPLQMEGSA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dTNjpTU9MN
Name rel-(3aR,5aS,9S,9aR)-3a,4,5,5a,8,9-hexahydro-5a,9-dimethyl-3H-cyclopent[c]inden-3-one
CAS Registry Number 113378-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O
InChI InChI=1S/C14H18O/c1-10-4-3-7-13(2)8-5-11-12(15)6-9-14(10,11)13/h3,6-7,9-11H,4-5,8H2,1-2H3/t10-,11-,13+,14-/m0/s1
InChIKey KPIBVVCZLLOEMS-VTPLQMEGSA-N
Molecular Weight 202.297 g/mol
SMILES [C@@]123C=CC([C@@]3(CC[C@]1(C=CC[C@@]2(C)[H])C)[H])=O
SPLASH splash10-0a4i-0910000000-b225d686597f02e628a6
Source of Spectrum J-53-1627-20
Synonyms (3aR,5aS,9S,9aR)-5a,9-dimethyl-3a,4,5,5a,8,9-hexahydro-3H-cyclopenta[c]inden-3-one
Wiley ID 1200284