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8.alpha.-(3,5-Dioxopiperazin-1-yl)-9,10-didehydro-6-methylergoline
SpectraBase Compound ID DqMpsJeEzxW
InChI InChI=1S/C19H20N4O2/c1-22-8-12(23-9-17(24)21-18(25)10-23)6-14-13-3-2-4-15-19(13)11(7-20-15)5-16(14)22/h2-4,6-7,12,16,20H,5,8-10H2,1H3,(H,21,24,25)/t12-,16+/m0/s1
InChIKey KAUJARCFZJTSNQ-BLLLJJGKSA-N
Mol Weight 336.4 g/mol
Molecular Formula C19H20N4O2
Exact Mass 336.158626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A18A5xdo4cY
Name 8.alpha.-(3,5-Dioxopiperazin-1-yl)-9,10-didehydro-6-methylergoline
Alternate Name(s) 4-((6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)piperazine-2,6-dione 4-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]piperazine-2,6-dione
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Formula C19H20N4O2
InChI InChI=1S/C19H20N4O2/c1-22-8-12(23-9-17(24)21-18(25)10-23)6-14-13-3-2-4-15-19(13)11(7-20-15)5-16(14)22/h2-4,6-7,12,16,20H,5,8-10H2,1H3,(H,21,24,25)/t12-,16+/m0/s1
InChIKey KAUJARCFZJTSNQ-BLLLJJGKSA-N
Molecular Weight 336.395 g/mol
SMILES N1C(CN([C@]2(C=C3[C@@](Cc4c5c([nH]c4)cccc35)(N(C2)C)[H])[H])CC1=O)=O
SPLASH splash10-052f-0490000000-23e24e99144d46adf152
Source of Spectrum EMC-34-119-13
Wiley ID 1734516