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Cyclobut[d]inden-3(1H)-one, octahydro-8-methyl-, (2a.alpha.,5a.beta.,8.beta.,8aS*)-(.+-.)-
SpectraBase Compound ID 8qJS1QEAi36
InChI InChI=1S/C12H18O/c1-8-2-3-9-4-5-11(13)10-6-7-12(8,9)10/h8-10H,2-7H2,1H3/t8-,9+,10+,12+/m0/s1
InChIKey YUZIXTRZRVOWGE-BTQIBKBOSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AeZvH44tYP0
Name Cyclobut[d]inden-3(1H)-one, octahydro-8-methyl-, (2a.alpha.,5a.beta.,8.beta.,8aS*)-(.+-.)-
CAS Registry Number 119971-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-2-3-9-4-5-11(13)10-6-7-12(8,9)10/h8-10H,2-7H2,1H3/t8-,9+,10+,12+/m0/s1
InChIKey YUZIXTRZRVOWGE-BTQIBKBOSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]123[C@](C(=O)CC[C@]3(CC[C@@]1(C)[H])[H])([H])CC2
SPLASH splash10-0kmi-1900000000-14ac031990fadac2c8de
Source of Spectrum C-111-3711-47
Synonyms (1R*,4S*,8R*,11S*)-11-methyltricyclo[6.3.0.0(1,4)]undecan-5-one (2aS,5aR,8S,8aR)-8-methyloctahydrocyclobuta[d]inden-3(1H)-one
Wiley ID 1174688