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rel-(3aR,5aR,9R,9aS)-3a,4,5,5a,8,9-hexahydro-5a,9-dimethyl-1H-cyclopent[c]inden-1-one
SpectraBase Compound ID COLnA6IL59J
InChI InChI=1S/C14H18O/c1-10-4-3-8-13(2)9-7-11-5-6-12(15)14(10,11)13/h3,5-6,8,10-11H,4,7,9H2,1-2H3/t10-,11+,13+,14-/m1/s1
InChIKey CKSYGFDXANZMRR-UVLXDEKHSA-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 K2HCfIu745E
Name rel-(3aR,5aR,9R,9aS)-3a,4,5,5a,8,9-hexahydro-5a,9-dimethyl-1H-cyclopent[c]inden-1-one
Alternate Name(s) (3aR,5aR,9R,9aS)-5a,9-dimethyl-3a,4,5,5a,8,9-hexahydro-1H-cyclopenta[c]inden-1-one
CAS Registry Number 113353-16-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O
InChI InChI=1S/C14H18O/c1-10-4-3-8-13(2)9-7-11-5-6-12(15)14(10,11)13/h3,5-6,8,10-11H,4,7,9H2,1-2H3/t10-,11+,13+,14-/m1/s1
InChIKey CKSYGFDXANZMRR-UVLXDEKHSA-N
Molecular Weight 202.297 g/mol
SMILES [C@]123[C@@](C=CC[C@]3(C)[H])(CC[C@@]2(C=CC1=O)[H])C
SPLASH splash10-0zfr-1790000000-90d41006b6c35cb1f32a
Source of Spectrum J-53-1628-27
Wiley ID 1200285