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2-Cyano-5-methoxy-benzobicyclo(2.2.1)heptadiene
SpectraBase Compound ID Ia3yQpTZfbp
InChI InChI=1S/C13H11NO/c1-15-12-4-2-3-10-11-6-8(13(10)12)5-9(11)7-14/h2-5,8,11H,6H2,1H3/t8-,11-/m0/s1
InChIKey MOCHAKQBQWCEQE-KWQFWETISA-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 9U4OFH3r9Iw
Name 2-Cyano-5-methoxy-benzobicyclo(2.2.1)heptadiene
CAS Registry Number 71906-50-8
Comments SIGNAL AT 154.68 PPM ELIMINATED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11NO
InChI InChI=1S/C13H11NO/c1-15-12-4-2-3-10-11-6-8(13(10)12)5-9(11)7-14/h2-5,8,11H,6H2,1H3/t8-,11-/m0/s1
InChIKey MOCHAKQBQWCEQE-KWQFWETISA-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