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3-Cyano-9-methoxy-tetracyclo(5.4.0.0/2,4/.0/3,6/)undeca-1(7),8,10-triene
SpectraBase Compound ID JakeDdMubCn
InChI InChI=1S/C13H11NO/c1-15-7-2-3-8-9(4-7)10-5-11-12(8)13(10,11)6-14/h2-4,10-12H,5H2,1H3/t10-,11+,12-,13+/m1/s1
InChIKey DQXKHJLUHKHKQB-XQHKEYJVSA-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 4P8jQt4ShhF
Name 3-Cyano-9-methoxy-tetracyclo(5.4.0.0/2,4/.0/3,6/)undeca-1(7),8,10-triene
CAS Registry Number 71906-52-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11NO
InChI InChI=1S/C13H11NO/c1-15-7-2-3-8-9(4-7)10-5-11-12(8)13(10,11)6-14/h2-4,10-12H,5H2,1H3/t10-,11+,12-,13+/m1/s1
InChIKey DQXKHJLUHKHKQB-XQHKEYJVSA-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