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Cycloprop[a]inden-4(1H)-one, octahydro-1b-methyl-6a-(1-methylethyl)-5-[2-(3-oxo-1-cyclohexen-1-yl) ethyl]-, [1aS-(1a.alpha.,1b.beta.,5.alpha.,5a.beta.,6a.alpha.)]-
SpectraBase Compound ID LXes2iNcpFX
InChI InChI=1S/C22H32O2/c1-14(2)22-12-18-17(8-7-15-5-4-6-16(23)11-15)19(24)9-10-21(18,3)20(22)13-22/h11,14,17-18,20H,4-10,12-13H2,1-3H3/t17-,18+,20+,21-,22+/m1/s1
InChIKey PBUJNWZAGHYHTC-DKBNTXJOSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35FRDTBc0Kk
Name Cycloprop[a]inden-4(1H)-one, octahydro-1b-methyl-6a-(1-methylethyl)-5-[2-(3-oxo-1-cyclohexen-1-yl) ethyl]-, [1aS-(1a.alpha.,1b.beta.,5.alpha.,5a.beta.,6a.alpha.)]-
CAS Registry Number 88256-17-1
Comments Less than 3 mono-isotopic peaks
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Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-14(2)22-12-18-17(8-7-15-5-4-6-16(23)11-15)19(24)9-10-21(18,3)20(22)13-22/h11,14,17-18,20H,4-10,12-13H2,1-3H3/t17-,18+,20+,21-,22+/m1/s1
InChIKey PBUJNWZAGHYHTC-DKBNTXJOSA-N
Molecular Weight 328.496 g/mol
SMILES [C@]12([C@@]([C@@]3(CCC([C@@]([C@@]3(C2)[H])(CCC2=CC(=O)CCC2)[H])=O)C)([H])C1)C(C)C
SPLASH splash10-00fr-0904000000-db257f8c960ab1402ff9
Source of Spectrum H-66-1824-0
Synonyms (1aS,1bR,5R,5aS,6aR)-6a-isopropyl-1b-methyl-5-[2-(3-oxo-1-cyclohexen-1-yl)ethyl]octahydrocyclopropa[a]inden-4(1H)-one 4.alpha.-isopropyl-1.beta.-methyl-7.alpha.-[2'-(3''-oxo-1''-cyclohexenyl)ethyl]tricyclo[4.4.0.0(2,4)]decan-3-one 4.alpha.-Isopropyl-1.beta.-methyl-7.alpha.-[2'-(3''-oxo-1''-cyclohexenyl)ethyl]tricyclo[4.4.0.0(2,4)]decan-3-one
Wiley ID 1326787