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8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-9,10-didehydro-ergoline
SpectraBase Compound ID DNn869ADY8V
InChI InChI=1S/C19H20N4O2/c24-17-9-23(10-18(25)22-17)8-11-4-14-13-2-1-3-15-19(13)12(7-21-15)5-16(14)20-6-11/h1-4,7,11,16,20-21H,5-6,8-10H2,(H,22,24,25)/t11-,16-/m1/s1
InChIKey SOSJSMNIBOSKML-BDJLRTHQSA-N
Mol Weight 336.39 g/mol
Molecular Formula C19H20N4O2
Exact Mass 336.158626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxF0d5BSvhU
Name 8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-9,10-didehydro-ergoline
Alternate Name(s) 4-(((6aR,9R)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl)piperazine-2,6-dione 4-[[(6aR,9R)-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]piperazine-2,6-dione
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Formula C19H20N4O2
InChI InChI=1S/C19H20N4O2/c24-17-9-23(10-18(25)22-17)8-11-4-14-13-2-1-3-15-19(13)12(7-21-15)5-16(14)20-6-11/h1-4,7,11,16,20-21H,5-6,8-10H2,(H,22,24,25)/t11-,16-/m1/s1
InChIKey SOSJSMNIBOSKML-BDJLRTHQSA-N
Molecular Weight 336.395 g/mol
SMILES [nH]1cc2c3c(C4=C[C@@](CN5CC(NC(C5)=O)=O)(CN[C@@]4(C2)[H])[H])cccc13
SPLASH splash10-0a4l-4792000000-038db5f05e1192516bf7
Source of Spectrum EMC-34-118-9
Wiley ID 1734519