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(5R)-5(10-9)abeo-6-Methyl-8-methyene-9,10-didehydroergoline
SpectraBase Compound ID 1Sw8xOHg2vu
InChI InChI=1S/C16H16N2/c1-10-9-18(2)15-7-12-8-17-14-5-3-4-11(16(12)14)6-13(10)15/h3-6,8,15,17H,1,7,9H2,2H3/t15-/m1/s1
InChIKey BTDZISNXHMWHRL-OAHLLOKOSA-N
Mol Weight 236.32 g/mol
Molecular Formula C16H16N2
Exact Mass 236.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vcILuBNJyL
Name (5R)-5(10-9)abeo-6-Methyl-8-methyene-9,10-didehydroergoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2
InChI InChI=1S/C16H16N2/c1-10-9-18(2)15-7-12-8-17-14-5-3-4-11(16(12)14)6-13(10)15/h3-6,8,15,17H,1,7,9H2,2H3/t15-/m1/s1
InChIKey BTDZISNXHMWHRL-OAHLLOKOSA-N
Molecular Weight 236.318 g/mol
SMILES [nH]1cc2C[C@@]3(C(=Cc4c2c1ccc4)C(CN3C)=C)[H]
SPLASH splash10-000i-0390000000-d4104acd93b23f98d320
Source of Spectrum H1-45-1502-14
Synonyms (5R,8R)-5(10-9)abeo-6-Methyl-8-methyene-9,10-didehydroergoline (9aR)-9-methyl-7-methylene-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole
Wiley ID 815796