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(5R,8R)-5(10-9)-abeo-6-propyl-8.beta.-chloromethyl-9,10-didehydroergoline
SpectraBase Compound ID 5qlGHRaBseM
InChI InChI=1S/C18H21ClN2/c1-2-6-21-11-14(9-19)15-7-12-4-3-5-16-18(12)13(10-20-16)8-17(15)21/h3-5,7,10,14,17,20H,2,6,8-9,11H2,1H3/t14-,17+/m0/s1
InChIKey AHMDSFBTPITWMU-WMLDXEAASA-N
Mol Weight 300.83 g/mol
Molecular Formula C18H21ClN2
Exact Mass 300.139326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z7xVLKhU
Name (5R,8R)-5(10-9)-abeo-6-propyl-8.beta.-chloromethyl-9,10-didehydroergoline
Alternate Name(s) (5R,8R)-5(10-9)-abeo-6-propyl-8.beta.-chloromethyl-9,10-didehydroergooline (7R,9aR)-7-(chloromethyl)-9-propyl-2,7,8,9,9a,10-hexahydropyrrolo[3',2':5,6]cyclohepta[1,2,3-cd]indole
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Formula C18H21ClN2
InChI InChI=1S/C18H21ClN2/c1-2-6-21-11-14(9-19)15-7-12-4-3-5-16-18(12)13(10-20-16)8-17(15)21/h3-5,7,10,14,17,20H,2,6,8-9,11H2,1H3/t14-,17+/m0/s1
InChIKey AHMDSFBTPITWMU-WMLDXEAASA-N
Molecular Weight 300.833 g/mol
SMILES [nH]1c2c3c(C=C4[C@@](Cc3c1)(N(C[C@@]4(CCl)[H])CCC)[H])ccc2
SPLASH splash10-0uxr-0974000000-761af888dcca54d48e1d
Source of Spectrum EMC-33-289-f
Wiley ID 1734455