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1(2H)-Pentalenone, hexahydro-3,3a,6,6a-tetramethyl-, (3.alpha.,3a.alpha.,6.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID CwPSZzc8bNI
InChI InChI=1S/C12H20O/c1-8-5-6-11(3)9(2)7-10(13)12(8,11)4/h8-9H,5-7H2,1-4H3/t8-,9-,11+,12-/m0/s1
InChIKey BMEPMZCYFHKIRM-XPXLGCRWSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANzRhIfdk8f
Name 1(2H)-Pentalenone, hexahydro-3,3a,6,6a-tetramethyl-, (3.alpha.,3a.alpha.,6.alpha.,6a.alpha.)-(.+-.)-
CAS Registry Number 116297-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-8-5-6-11(3)9(2)7-10(13)12(8,11)4/h8-9H,5-7H2,1-4H3/t8-,9-,11+,12-/m0/s1
InChIKey BMEPMZCYFHKIRM-XPXLGCRWSA-N
Molecular Weight 180.291 g/mol
SMILES [C@@]12([C@@]([C@@](C)(CC2=O)[H])(CC[C@@]1(C)[H])C)C
SPLASH splash10-0a4j-8900000000-5be37324f1ed32bc0953
Source of Spectrum F-43-4881-7
Synonyms (1RS,4SR,5RS,8SR)-1,4,5,8-tetramethylbicyclo[3.3.0]octan-2-one (3S,3aR,6S,6aR)-3,3a,6,6a-tetramethylhexahydro-1(2H)-pentalenone
Wiley ID 1176876