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Derivative of (5Z)-Cyclohexenone
SpectraBase Compound ID GgZROjNcYry
InChI InChI=1S/C29H45NO2/c1-4-5-6-7-8-9-12-24-15-16-27-23(11-10-18-28(24,27)3)13-14-25-20-26(31)17-19-29(25)21-22(2)30-32-29/h13,20,24,27H,4-12,14-19,21H2,1-3H3/b23-13+/t24-,27-,28+,29?/m0/s1
InChIKey ILXHZNOXCYQNPX-FLISSSLHSA-N
Mol Weight 439.7 g/mol
Molecular Formula C29H45NO2
Exact Mass 439.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbObJwQ3BcX
Name Derivative of (5Z)-Cyclohexenone
Alternate Name(s) 6-{(2E)-2-[(1S)-7a-methyl-1-octyloctahydro-4H-inden-4-ylidene]ethyl}-3-methyl-1-oxa-2-azaspiro[4.5]deca-2,6-dien-8-one
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Formula C29H45NO2
InChI InChI=1S/C29H45NO2/c1-4-5-6-7-8-9-12-24-15-16-27-23(11-10-18-28(24,27)3)13-14-25-20-26(31)17-19-29(25)21-22(2)30-32-29/h13,20,24,27H,4-12,14-19,21H2,1-3H3/b23-13+/t24-,27-,28+,29?/m0/s1
InChIKey ILXHZNOXCYQNPX-FLISSSLHSA-N
Molecular Weight 439.684 g/mol
SMILES C12(C(=CC(CC2)=O)C\C=C\2[C@]3([C@]([C@](CCCCCCCC)([H])CC3)(C)CCC2)[H])ON=C(C1)C
SPLASH splash10-0596-9100300000-3c52f36dc7ad0713850f
Source of Spectrum U-1993-599-5
Wiley ID 764984