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Cycloprop[a]inden-4(1H)-one, 1a,1b,2,3,6,6a-hexahydro-1b-methyl-6a-(1-methylethyl)-5-[2-(6-methyl- 2-pyridinyl)ethyl]-, [1aS-(1a.alpha.,1b.beta.,6a.alpha.)]-
SpectraBase Compound ID 7erJ8dq1XFT
InChI InChI=1S/C22H29NO/c1-14(2)22-12-18-17(9-8-16-7-5-6-15(3)23-16)19(24)10-11-21(18,4)20(22)13-22/h5-7,14,20H,8-13H2,1-4H3/t20-,21+,22-/m1/s1
InChIKey FXQXLPCULGMXHA-BHIFYINESA-N
Mol Weight 323.48 g/mol
Molecular Formula C22H29NO
Exact Mass 323.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkCU8pxM1qS
Name Cycloprop[a]inden-4(1H)-one, 1a,1b,2,3,6,6a-hexahydro-1b-methyl-6a-(1-methylethyl)-5-[2-(6-methyl- 2-pyridinyl)ethyl]-, [1aS-(1a.alpha.,1b.beta.,6a.alpha.)]-
Alternate Name(s) (1aS,1bR,6aS)-6a-isopropyl-1b-methyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-1a,1b,2,3,6,6a-hexahydrocyclopropa[a]inden-4(1H)-one 4.alpha.-isopropyl-1.beta.-methyl-7-[2'-(6''-methyl-2''-pyridyl)ethyl]tricyclo[4.4.0.0(2,4)]dec-6-en-8-one 4.alpha.-Isopropyl-1.beta.-methyl-7-[2'-(6''-methyl-2''-pyridyl)ethyl]tricyclo[4.4.0.0(2,4)]dec-6-en-8-one
CAS Registry Number 88256-12-6
Comments Less than 3 mono-isotopic peaks
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Formula C22H29NO
InChI InChI=1S/C22H29NO/c1-14(2)22-12-18-17(9-8-16-7-5-6-15(3)23-16)19(24)10-11-21(18,4)20(22)13-22/h5-7,14,20H,8-13H2,1-4H3/t20-,21+,22-/m1/s1
InChIKey FXQXLPCULGMXHA-BHIFYINESA-N
Molecular Weight 323.480 g/mol
SMILES [C@@]12([C@]([C@]3(CCC(C(=C3C2)CCc2nc(C)ccc2)=O)C)([H])C1)C(C)C
SPLASH splash10-0a4i-0903000000-2557334bf0f25faa1390
Source of Spectrum H-66-1823-0
Wiley ID 1322675