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Dimethyl (1RS,5SR)-8-benzyl-2-(dicyanomethylene)-8-azabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
SpectraBase Compound ID LLOY7dV46uV
InChI InChI=1S/C21H19N3O4/c1-27-20(25)17-16-9-8-15(14(10-22)11-23)19(18(17)21(26)28-2)24(16)12-13-6-4-3-5-7-13/h3-7,16,19H,8-9,12H2,1-2H3/t16-,19+/m0/s1
InChIKey DZRHREKWOKTJKT-QFBILLFUSA-N
Mol Weight 377.4 g/mol
Molecular Formula C21H19N3O4
Exact Mass 377.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lV9CTwK1LJ
Name Dimethyl (1RS,5SR)-8-benzyl-2-(dicyanomethylene)-8-azabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3O4
InChI InChI=1S/C21H19N3O4/c1-27-20(25)17-16-9-8-15(14(10-22)11-23)19(18(17)21(26)28-2)24(16)12-13-6-4-3-5-7-13/h3-7,16,19H,8-9,12H2,1-2H3/t16-,19+/m0/s1
InChIKey DZRHREKWOKTJKT-QFBILLFUSA-N
Molecular Weight 377.400 g/mol
SMILES C1(=C([C@@]2(CCC([C@]1(N2Cc1ccccc1)[H])=C(C#N)C#N)[H])C(=O)OC)C(=O)OC
SPLASH splash10-0006-9064000000-886797bce3c503665d80
Source of Spectrum F5-6-3194-26
Synonyms Dimethyl (1RS,5SR)-8-benzyll-2-(dicyanomethylene)-8-azabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate (1R,5S)-dimethyl 8-benzyl-2-(dicyanomethylene)-8-azabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate
Wiley ID 1733600