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(3R*,4aR*)-3-Benzyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5,5-dicarbonitrile
SpectraBase Compound ID HGr9mQmRuP5
InChI InChI=1S/C22H21N3/c23-15-22(16-24)14-19-8-4-5-9-20(19)25-11-10-18(13-21(22)25)12-17-6-2-1-3-7-17/h1-9,18,21H,10-14H2/t18-,21+/m0/s1
InChIKey OGQDMXZJCNDTKY-GHTZIAJQSA-N
Mol Weight 327.43 g/mol
Molecular Formula C22H21N3
Exact Mass 327.173548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSs6gHNjzmt
Name (3R*,4aR*)-3-Benzyl-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine-5,5-dicarbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3
InChI InChI=1S/C22H21N3/c23-15-22(16-24)14-19-8-4-5-9-20(19)25-11-10-18(13-21(22)25)12-17-6-2-1-3-7-17/h1-9,18,21H,10-14H2/t18-,21+/m0/s1
InChIKey OGQDMXZJCNDTKY-GHTZIAJQSA-N
Molecular Weight 327.431 g/mol
SMILES C1([C@@]2(N(CC[C@](C2)(Cc2ccccc2)[H])c2c(C1)cccc2)[H])(C#N)C#N
SPLASH splash10-004i-0009000000-ca2c00d783c2dd5395b6
Source of Spectrum O1-45-753-13b
Wiley ID 1669024