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5-Benzoyloxy-2,4-(E,E)-pentadienenitrile

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5-Benzoyloxy-2,4-(E,E)-pentadienenitrile
SpectraBase Compound ID 3KnRw2m99Ti
InChI InChI=1S/C12H9NO2/c13-9-5-2-6-10-15-12(14)11-7-3-1-4-8-11/h1-8,10H/b5-2+,10-6+
InChIKey AEYAPNSPVHYBRK-SUWMZURFSA-N
Mol Weight 199.21 g/mol
Molecular Formula C12H9NO2
Exact Mass 199.063329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wvbs2DDfQ8
Name 5-Benzoyloxy-2,4-(Z,E)-pentadienenitrile
CAS Registry Number 77242-73-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9NO2
InChI InChI=1S/C12H9NO2/c13-9-5-2-6-10-15-12(14)11-7-3-1-4-8-11/h1-8,10H/b5-2+,10-6+
InChIKey AEYAPNSPVHYBRK-SUWMZURFSA-N
Instrument Name Jeol FX-60
Literature Reference L. Finsen, J. Becher, O. Buchardt, Acta Chem. Scand. B34, 513 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3