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TRICYCLO[3.2.2.0E2,4]NON-8-EN-endo3,6,6,7,7-PENTACARBONITRILE, exo-3-PHENYL-
SpectraBase Compound ID DYjHrxAgDia
InChI InChI=1S/C20H11N5/c21-8-18(9-22)14-6-7-15(19(18,10-23)11-24)17-16(14)20(17,12-25)13-4-2-1-3-5-13/h1-7,14-17H/t14-,15+,16?,17?,20?
InChIKey RAKXXRZXGUEUHB-MFVYKDIISA-N
Mol Weight 321.34 g/mol
Molecular Formula C20H11N5
Exact Mass 321.101445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfQdHxMmlsq
Name TRICYCLO[3.2.2.0E2,4]NON-8-EN-endo3,6,6,7,7-PENTACARBONITRILE, exo-3-PHENYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H11N5
InChI InChI=1S/C20H11N5/c21-8-18(9-22)14-6-7-15(19(18,10-23)11-24)17-16(14)20(17,12-25)13-4-2-1-3-5-13/h1-7,14-17H/t14-,15+,16?,17?,20?
InChIKey RAKXXRZXGUEUHB-MFVYKDIISA-N
Instrument Name 311A
Molecular Weight 321.1013
SMILES [C@@]12(C(C#N)(C#N)C(C#N)(C#N)[C@](C3C(c4ccccc4)(C#N)C13)(C=C2)[H])[H]
SPLASH splash10-00mo-4900000000-78b7ad15ac6a2abbbcbd
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany