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8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-9,10-didehydro-1,6-dimethyl methylergoline

View entire compound with spectra: 1 MS (GC)

8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-9,10-didehydro-1,6-dimethyl methylergoline
SpectraBase Compound ID 3m8eEeqq1QL
InChI InChI=1S/C21H24N4O2/c1-23-8-13(9-25-11-19(26)22-20(27)12-25)6-16-15-4-3-5-17-21(15)14(7-18(16)23)10-24(17)2/h3-6,10,13,18H,7-9,11-12H2,1-2H3,(H,22,26,27)/t13-,18?/m1/s1
InChIKey YXFYLDTZQCOFFD-YJJYDOSJSA-N
Mol Weight 364.45 g/mol
Molecular Formula C21H24N4O2
Exact Mass 364.189926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bdszjdUVE
Name 8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-9,10-didehydro-1,6-dimethyl methylergoline
Alternate Name(s) 8.beta.-(3,5-Dioxopiperazin-1-ylmethyl)-9,10-didehydro-1,6-dimethylergoline 4-(((9S)-4,7-dimethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl)piperazine-2,6-dione
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Formula C21H24N4O2
InChI InChI=1S/C21H24N4O2/c1-23-8-13(9-25-11-19(26)22-20(27)12-25)6-16-15-4-3-5-17-21(15)14(7-18(16)23)10-24(17)2/h3-6,10,13,18H,7-9,11-12H2,1-2H3,(H,22,26,27)/t13-,18?/m1/s1
InChIKey YXFYLDTZQCOFFD-YJJYDOSJSA-N
Molecular Weight 364.449 g/mol
SMILES N1C(CN(CC1=O)C[C@@]1(C=C2c3c4c([n](C)cc4CC2N(C)C1)ccc3)[H])=O
SPLASH splash10-01pc-6297000000-21caeb6b03aed8beea2f
Source of Spectrum EMC-34-117-2
Wiley ID 1734526