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(3aS,4S,9bS)-exo-8-Bromo-4-(2'-cyanovinyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carboxylic acid methyl ester
SpectraBase Compound ID AYGbieMHtDl
InChI InChI=1S/C16H16BrN3O2/c1-22-16(21)20-8-6-11-13(3-2-7-18)19-14-5-4-10(17)9-12(14)15(11)20/h2-5,9,11,13,15,19H,6,8H2,1H3/b3-2+
InChIKey VERDJRGKUZETFG-NSCUHMNNSA-N
Mol Weight 362.23 g/mol
Molecular Formula C16H16BrN3O2
Exact Mass 361.04259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ismZllPPEx
Name (3aS,4S,9bS)-exo-8-Bromo-4-(2'-cyanovinyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carboxylic acid methyl ester
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Formula C16H16BrN3O2
InChI InChI=1S/C16H16BrN3O2/c1-22-16(21)20-8-6-11-13(3-2-7-18)19-14-5-4-10(17)9-12(14)15(11)20/h2-5,9,11,13,15,19H,6,8H2,1H3/b3-2+
InChIKey VERDJRGKUZETFG-NSCUHMNNSA-N
Molecular Weight 362.227 g/mol
SMILES N1c2c(C3C(C1\C=C\C#N)CCN3C(=O)OC)cc(cc2)Br
SPLASH splash10-03fr-0937000000-1939e095d50e9e2a1299
Source of Spectrum KC-57-5622-27
Synonyms exo-8-Bromo-4-(2'-cyanovinyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carboxylic acid methyl ester Methyl 8-bromo-4-[(E)-2-cyanoethenyl]-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline-1-carboxylate
Wiley ID 1624801