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1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-3a,6,6a-trimethyl-, (3a.alpha.,6.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID J2JDfsUNfgy
InChI InChI=1S/C11H16O/c1-8-4-6-10(2)7-5-9(12)11(8,10)3/h5,7-8H,4,6H2,1-3H3/t8-,10+,11-/m0/s1
InChIKey VKFFSMYGOCIADV-GDPRMGEGSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLlK7qk2h9j
Name 1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-3a,6,6a-trimethyl-, (3a.alpha.,6.alpha.,6a.alpha.)-(.+-.)-
CAS Registry Number 116214-97-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c1-8-4-6-10(2)7-5-9(12)11(8,10)3/h5,7-8H,4,6H2,1-3H3/t8-,10+,11-/m0/s1
InChIKey VKFFSMYGOCIADV-GDPRMGEGSA-N
Molecular Weight 164.248 g/mol
SMILES [C@@]12([C@@](C=CC2=O)(CC[C@@]1(C)[H])C)C
SPLASH splash10-02t9-9300000000-f20d0eefdde81402bc47
Source of Spectrum F-43-4880-5
Synonyms (1'R,2'RS,5'SR)-1',2',5'-trimethylcyclopentylpropyn-1-one (1RS,5RS,8SR)-1,5,8-trimethylbicyclo[3.3.0]oct-3-en-2-one (3aR,6S,6aR)-3a,6,6a-trimethyl-4,5,6,6a-tetrahydro-1(3aH)-pentalenone
Wiley ID 1160881