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N-(p-nitro)benzylcytisine
SpectraBase Compound ID INZ7bBbLKUb
InChI InChI=1S/C18H19N3O3/c22-18-3-1-2-17-15-8-14(11-20(17)18)10-19(12-15)9-13-4-6-16(7-5-13)21(23)24/h1-7,14-15H,8-12H2/t14-,15+/m0/s1
InChIKey GQXGWBNRGPDMNO-LSDHHAIUSA-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 ENTg98fAK8z
Name N-(p-nitro)benzylcytisine
Alternate Name(s) (1R,5S)-3-(4-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/c22-18-3-1-2-17-15-8-14(11-20(17)18)10-19(12-15)9-13-4-6-16(7-5-13)21(23)24/h1-7,14-15H,8-12H2/t14-,15+/m0/s1
InChIKey GQXGWBNRGPDMNO-LSDHHAIUSA-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)Cc1ccc(cc1)[N+]([O-])=O)[H])[H]
SPLASH splash10-004i-2902000000-8c16f0c8181bed85ca3b
Source of Spectrum RCM-22-261-4
Wiley ID 1814491