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1H-Cyclopenta[1,3]cyclopropa[1,2]benzen-6(7H)-one, hexahydro-3a-hydroxy-3b,4-dimethyl-, (3a.alpha.,3b.alpha.,4.beta.,7aR*)-
SpectraBase Compound ID Clf7Ldgv0bz
InChI InChI=1S/C12H18O2/c1-8-6-10(13)7-9-4-3-5-11(14)12(8,9)2/h7-8,11,14H,3-6H2,1-2H3/t8-,11-,12-/m0/s1
InChIKey UAJXZNLQTFPPQH-UWJYBYFXSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JcrF3App4F
Name 1H-Cyclopenta[1,3]cyclopropa[1,2]benzen-6(7H)-one, hexahydro-3a-hydroxy-3b,4-dimethyl-, (3a.alpha.,3b.alpha.,4.beta.,7aR*)-
CAS Registry Number 62653-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8-6-10(13)7-9-4-3-5-11(14)12(8,9)2/h7-8,11,14H,3-6H2,1-2H3/t8-,11-,12-/m0/s1
InChIKey UAJXZNLQTFPPQH-UWJYBYFXSA-N
Molecular Weight 194.274 g/mol
SMILES O[C@@]1([C@@]2(C(=CC(C[C@@]2(C)[H])=O)CCC1)C)[H]
SPLASH splash10-01ox-3900000000-22a4546c7f2ed060de34
Source of Spectrum C-99-1957-0
Synonyms (4S,4aS,5S)-5-hydroxy-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone (5.alpha.,6.beta.,7.beta.)-7-hydroxy-5,6-dimethylbicyclo[4.4.0]dec-1-en-3-one (4S,4aS,5S)-4,4a-dimethyl-5-oxidanyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Wiley ID 1191029