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1(2H)-Pentalenone, 3-ethenylhexahydro-2,3,6a-trimethyl-, (2.alpha.,3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID CVBclMI8LB
InChI InChI=1S/C13H20O/c1-5-12(3)9(2)11(14)13(4)8-6-7-10(12)13/h5,9-10H,1,6-8H2,2-4H3/t9-,10+,12+,13+/m0/s1
InChIKey DLIQWSZEDYHNOF-XKAARJIMSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JTK6o33JqE
Name 1(2H)-Pentalenone, 3-ethenylhexahydro-2,3,6a-trimethyl-, (2.alpha.,3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
CAS Registry Number 108613-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-5-12(3)9(2)11(14)13(4)8-6-7-10(12)13/h5,9-10H,1,6-8H2,2-4H3/t9-,10+,12+,13+/m0/s1
InChIKey DLIQWSZEDYHNOF-XKAARJIMSA-N
Molecular Weight 192.302 g/mol
SMILES [C@]12(C([C@](C)([C@]([C@]2(CCC1)[H])(C=C)C)[H])=O)C
SPLASH splash10-00lr-9000000000-26380b3760572a4f3c99
Source of Spectrum H-69-666-9
Synonyms (1RS,4RS,5RS)-1,3,4-trimethyl-4-vinybicyclo[3.3.0]octan-2-one (2R,3S,3aR,6aR)-2,3,6a-trimethyl-3-vinylhexahydro-1(2H)-pentalenone
Wiley ID 1188981