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N-(o-nitro)benzylcytisine
SpectraBase Compound ID ItucxMRwSRd
InChI InChI=1S/C18H19N3O3/c22-18-7-3-6-16-15-8-13(10-20(16)18)9-19(12-15)11-14-4-1-2-5-17(14)21(23)24/h1-7,13,15H,8-12H2/t13-,15+/m0/s1
InChIKey MJYXEPIJNWYEMC-DZGCQCFKSA-N
Mol Weight 325.37 g/mol
Molecular Formula C18H19N3O3
Exact Mass 325.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6i8mJQMY1p1
Name N-(o-nitro)benzylcytisine
Alternate Name(s) (1R,5S)-3-(2-nitrobenzyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
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Formula C18H19N3O3
InChI InChI=1S/C18H19N3O3/c22-18-7-3-6-16-15-8-13(10-20(16)18)9-19(12-15)11-14-4-1-2-5-17(14)21(23)24/h1-7,13,15H,8-12H2/t13-,15+/m0/s1
InChIKey MJYXEPIJNWYEMC-DZGCQCFKSA-N
Literature Reference DOI 10.1002/rcm.3358
Molecular Weight 325.368 g/mol
SMILES C=1C=C2N(C(C1)=O)C[C@]1(C[C@@]2(CN(C1)Cc1c(cccc1)[N+](=O)[O-])[H])[H]
SPLASH splash10-004s-2901000000-432b9d607981aa917411
Source of Spectrum RCM-22-261-2
Wiley ID 1814489