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3,4-Dicyano-11-di(ethoxycarbonyl)methyl]-11-azatricyclo[5.4.0.1(2,5)]undeca-triene
SpectraBase Compound ID A9vJB2L5vVe
InChI InChI=1S/C19H19N3O4/c1-3-25-18(23)17(19(24)26-4-2)22-15-11-7-5-6-8-12(11)16(22)14(10-21)13(15)9-20/h5-8,13-17H,3-4H2,1-2H3/t13-,14-,15-,16+/m1/s1
InChIKey BGBDCZCUCPHICK-FPCVCCKLSA-N
Mol Weight 353.38 g/mol
Molecular Formula C19H19N3O4
Exact Mass 353.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIvi6Om4Nfv
Name 3,4-Dicyano-11-di(ethoxycarbonyl)methyl]-11-azatricyclo[5.4.0.1(2,5)]undeca-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19N3O4
InChI InChI=1S/C19H19N3O4/c1-3-25-18(23)17(19(24)26-4-2)22-15-11-7-5-6-8-12(11)16(22)14(10-21)13(15)9-20/h5-8,13-17H,3-4H2,1-2H3/t13-,14-,15-,16+/m1/s1
InChIKey BGBDCZCUCPHICK-FPCVCCKLSA-N
Molecular Weight 353.378 g/mol
SMILES [C@]12(N([C@]([C@@]([C@]2(C#N)[H])(C#N)[H])(c2ccccc12)[H])C(C(=O)OCC)C(=O)OCC)[H]
SPLASH splash10-0059-0890000000-615ecd02a311dedf7b21
Source of Spectrum F-66-181-16a
Wiley ID 1682865