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(3R*,4aR*)-3-Methyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5,5-dicarbonitrile
SpectraBase Compound ID 4IbCf6Nj7kq
InChI InChI=1S/C16H17N3/c1-12-6-7-19-14-5-3-2-4-13(14)9-16(10-17,11-18)15(19)8-12/h2-5,12,15H,6-9H2,1H3/t12-,15-/m1/s1
InChIKey CGDPWWOZFOXZMB-IUODEOHRSA-N
Mol Weight 251.33 g/mol
Molecular Formula C16H17N3
Exact Mass 251.142248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpFtRYoQMfg
Name (3R*,4aR*)-3-Methyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5,5-dicarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C16H17N3
InChI InChI=1S/C16H17N3/c1-12-6-7-19-14-5-3-2-4-13(14)9-16(10-17,11-18)15(19)8-12/h2-5,12,15H,6-9H2,1H3/t12-,15-/m1/s1
InChIKey CGDPWWOZFOXZMB-IUODEOHRSA-N
Molecular Weight 251.333 g/mol
SMILES C1([C@@]2(N(CC[C@](C2)(C)[H])c2c(C1)cccc2)[H])(C#N)C#N
SPLASH splash10-0udi-0090000000-d6c96648dc54a0ff0f0d
Source of Spectrum O1-45-753-13a
Wiley ID 1669026