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2-Cyano-7-methoxy-benzobicyclo(2.2.1)heptadiene
SpectraBase Compound ID 1syHxfIhDaS
InChI InChI=1S/C13H11NO/c1-15-10-2-3-11-8-4-9(7-14)12(5-8)13(11)6-10/h2-4,6,8,12H,5H2,1H3/t8-,12-/m0/s1
InChIKey KMZCNJZPZXVOIK-UFBFGSQYSA-N
Mol Weight 197.24 g/mol
Molecular Formula C13H11NO
Exact Mass 197.084064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FvlKSnRte8
Name 2-Cyano-7-methoxy-benzobicyclo(2.2.1)heptadiene
CAS Registry Number 71906-44-0
Comments SHIFTVALUE FROM C13 AT 53.74 IS CHANGED TO 55.74 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11NO
InChI InChI=1S/C13H11NO/c1-15-10-2-3-11-8-4-9(7-14)12(5-8)13(11)6-10/h2-4,6,8,12H,5H2,1H3/t8-,12-/m0/s1
InChIKey KMZCNJZPZXVOIK-UFBFGSQYSA-N
Instrument Name Bruker HX-90
Literature Reference A.Y. Ku, L.A. Paquette, M.D. Rozeboom, J. Am. Chem. Soc. 101, 5981 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3