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1-Cyano-benzo-bicyclo(2.2.1)hepta-2,5-diene

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1-Cyano-benzo-bicyclo(2.2.1)hepta-2,5-diene
SpectraBase Compound ID IP6W997lIsJ
InChI InChI=1S/C12H9N/c13-8-12-6-5-9(7-12)10-3-1-2-4-11(10)12/h1-6,9H,7H2/t9-,12+/m1/s1
InChIKey IEOLANGFTYFSAO-SKDRFNHKSA-N
Mol Weight 167.21 g/mol
Molecular Formula C12H9N
Exact Mass 167.073499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrMi5D1GfYc
Name 1-Cyano-benzo-bicyclo(2.2.1)hepta-2,5-diene
CAS Registry Number 83399-17-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9N
InChI InChI=1S/C12H9N/c13-8-12-6-5-9(7-12)10-3-1-2-4-11(10)12/h1-6,9H,7H2/t9-,12+/m1/s1
InChIKey IEOLANGFTYFSAO-SKDRFNHKSA-N
Instrument Name Bruker WM-300
Literature Reference L.A. Paquette, E. Bay, J. Am. Chem. Soc. 106, 6693 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3