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(5R, 8R)-5(10-9)abeo-1,6-Dimethyl-8.beta.-methyl-9, 10-didehydroergoline
SpectraBase Compound ID DZkRJIEKX5Z
InChI InChI=1S/C17H20N2/c1-11-9-18(2)16-8-13-10-19(3)15-6-4-5-12(17(13)15)7-14(11)16/h4-7,10-11,16H,8-9H2,1-3H3/t11-,16+/m0/s1
InChIKey JBTXBRPJRXMHTE-MEDUHNTESA-N
Mol Weight 252.36 g/mol
Molecular Formula C17H20N2
Exact Mass 252.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JN2vwwREgui
Name (5R, 8R)-5(10-9)abeo-1,6-Dimethyl-8.beta.-methyl-9, 10-didehydroergoline
Alternate Name(s) (5R,8R)-5(10-9)abeo-1,6-Dimethyl-8.beta.-methyl-9,10-didehydroergoline (7R,9aR)-2,7,9-trimethyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole
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Formula C17H20N2
InChI InChI=1S/C17H20N2/c1-11-9-18(2)16-8-13-10-19(3)15-6-4-5-12(17(13)15)7-14(11)16/h4-7,10-11,16H,8-9H2,1-3H3/t11-,16+/m0/s1
InChIKey JBTXBRPJRXMHTE-MEDUHNTESA-N
Molecular Weight 252.361 g/mol
SMILES C=12[C@](N(C)C[C@@]2(C)[H])(Cc2c[n](C)c3c2c(C1)ccc3)[H]
SPLASH splash10-0f79-0490000000-eb92a32eb9ff29ba42f8
Source of Spectrum EMC-33-290-17
Wiley ID 1734449