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Methyl (1RS,5RS,7RS)-8-benzyl-2-(dicyanomethylene)-8-azabicyclo[3.2.1]octane-7-carboxylate
SpectraBase Compound ID J6KZ0kGU3WD
InChI InChI=1S/C19H19N3O2/c1-24-19(23)17-9-15-7-8-16(14(10-20)11-21)18(17)22(15)12-13-5-3-2-4-6-13/h2-6,15,17-18H,7-9,12H2,1H3/t15-,17+,18+/m1/s1
InChIKey WUHOJMNGICHQHM-NJAFHUGGSA-N
Mol Weight 321.38 g/mol
Molecular Formula C19H19N3O2
Exact Mass 321.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4PPAiNVOGd
Name Methyl (1RS,5RS,7RS)-8-benzyl-2-(dicyanomethylene)-8-azabicyclo[3.2.1]octane-7-carboxylate
Alternate Name(s) Methyl (1RS,5RS,7RS)-8-benzyll-2-(dicyanomethylene)-8-azabicyclo[3.2.1]octane-7-carboxylate (1S,5S,6S)-methyl 8-benzyl-4-(dicyanomethylene)-8-azabicyclo[3.2.1]octane-6-carboxylate
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Formula C19H19N3O2
InChI InChI=1S/C19H19N3O2/c1-24-19(23)17-9-15-7-8-16(14(10-20)11-21)18(17)22(15)12-13-5-3-2-4-6-13/h2-6,15,17-18H,7-9,12H2,1H3/t15-,17+,18+/m1/s1
InChIKey WUHOJMNGICHQHM-NJAFHUGGSA-N
Molecular Weight 321.380 g/mol
SMILES [C@@]12(N([C@@](C[C@@]2(C(=O)OC)[H])(CCC1=C(C#N)C#N)[H])Cc1ccccc1)[H]
SPLASH splash10-006x-9055000000-30c05d64d5eab64c0bb7
Source of Spectrum F5-6-3194-25a
Wiley ID 1733602