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1,7,7-Trimethyl-3-([E]-2-[4-cyano-phenyl]-ethenyl)-2-oxa-B icyclo(4.4.0)deca-3,5-diene
SpectraBase Compound ID Cv02Bsui4sL
InChI InChI=1S/C21H23NO/c1-20(2)13-4-14-21(3)19(20)12-11-18(23-21)10-9-16-5-7-17(15-22)8-6-16/h5-12H,4,13-14H2,1-3H3/b10-9+
InChIKey KRLHSAZMDSRUAY-MDZDMXLPSA-N
Mol Weight 305.42 g/mol
Molecular Formula C21H23NO
Exact Mass 305.177964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXMwyZH1qbo
Name 1,7,7-Trimethyl-3-([E]-2-[4-cyano-phenyl]-ethenyl)-2-oxa-B icyclo(4.4.0)deca-3,5-diene
Comments REASSIGNED AND SHIFTCORRECTION FROM 3.OO PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H23NO
InChI InChI=1S/C21H23NO/c1-20(2)13-4-14-21(3)19(20)12-11-18(23-21)10-9-16-5-7-17(15-22)8-6-16/h5-12H,4,13-14H2,1-3H3/b10-9+
InChIKey KRLHSAZMDSRUAY-MDZDMXLPSA-N
Instrument Name Jeol FX-100
Literature Reference R.P. Gandhi, M.P. Ishar, S.Kumar, Magn. Res. Chem. 28, 212 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3