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2,3-Benzo-bicyclo(4.2.0)octa-2,4,7-triene-2'-carbonitrile

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2,3-Benzo-bicyclo(4.2.0)octa-2,4,7-triene-2'-carbonitrile
SpectraBase Compound ID IzO6ngRgOtJ
InChI InChI=1S/C13H9N/c14-8-9-1-5-13-11(7-9)3-2-10-4-6-12(10)13/h1-7,10,12H
InChIKey KZINYAFVZRMJHS-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C13H9N
Exact Mass 179.073499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59148Gxjdm
Name 2,3-Benzo-bicyclo(4.2.0)octa-2,4,7-triene-2'-carbonitrile
CAS Registry Number 111689-61-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H9N
InChI InChI=1S/C13H9N/c14-8-9-1-5-13-11(7-9)3-2-10-4-6-12(10)13/h1-7,10,12H
InChIKey KZINYAFVZRMJHS-UHFFFAOYSA-N
Literature Reference W. Grimme, J. Lex, T. Schmidt, Angew. Chem. 99, 1277 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3