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Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3a-methyl-, (3a.alpha.,3b.beta.,6a.beta.,6b.alpha.)-(.+-.)-
SpectraBase Compound ID CxolIZYAvwt
InChI InChI=1S/C11H16O/c1-11-6-5-9(12)10(11)7-3-2-4-8(7)11/h7-8,10H,2-6H2,1H3/t7-,8+,10-,11-/m1/s1
InChIKey WQQMLSBIJXWSGC-JZSSXWJLSA-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 JqqY9zJc0ce
Name Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3a-methyl-, (3a.alpha.,3b.beta.,6a.beta.,6b.alpha.)-(.+-.)-
CAS Registry Number 123931-74-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c1-11-6-5-9(12)10(11)7-3-2-4-8(7)11/h7-8,10H,2-6H2,1H3/t7-,8+,10-,11-/m1/s1
InChIKey WQQMLSBIJXWSGC-JZSSXWJLSA-N
Molecular Weight 164.248 g/mol
SMILES [C@@]12([C@](C(=O)CC2)([H])[C@]2([C@@]1(CCC2)[H])[H])C
SPLASH splash10-006t-9400000000-daf0877285f9f80c7b52
Source of Spectrum K-125-2581-3
Synonyms (1.alpha.,2.beta.,6.beta.,7.alpha.)-6-methyltricyclo[5.3.0.0(2,6)]decan-3-one (3aR,3bS,6aR,6bS)-3a-methyloctahydrocyclopenta[3,4]cyclobuta[1,2-a]cyclopenten-1(2H)-one
Wiley ID 1160973