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2,8-Dicyano-benzobicyclo(2.2.1)heptadiene

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2,8-Dicyano-benzobicyclo(2.2.1)heptadiene
SpectraBase Compound ID 1JIpxzT3YwP
InChI InChI=1S/C13H8N2/c14-6-8-2-1-3-11-9-4-10(7-15)12(5-9)13(8)11/h1-4,9,12H,5H2/t9-,12-/m0/s1
InChIKey AUQMKBIJBUGNNK-CABZTGNLSA-N
Mol Weight 192.22 g/mol
Molecular Formula C13H8N2
Exact Mass 192.068748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1ufCDmzox2
Name 2,8-Dicyano-benzobicyclo(2.2.1)heptadiene
CAS Registry Number 71925-33-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H8N2
InChI InChI=1S/C13H8N2/c14-6-8-2-1-3-11-9-4-10(7-15)12(5-9)13(8)11/h1-4,9,12H,5H2/t9-,12-/m0/s1
InChIKey AUQMKBIJBUGNNK-CABZTGNLSA-N
Instrument Name Bruker HX-90
Literature Reference L.A. Paquette, A.Y. Ku, C. Santiago, J. Am. Chem. Soc. 101, 5972 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3