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5-Cyano-benzobicyclo(2.2.1)hepten-2-one

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5-Cyano-benzobicyclo(2.2.1)hepten-2-one
SpectraBase Compound ID El4tUrX8M5q
InChI InChI=1S/C12H9NO/c13-6-7-2-1-3-9-10-4-8(12(7)9)5-11(10)14/h1-3,8,10H,4-5H2/t8-,10-/m1/s1
InChIKey XYGORIQAOOUZPM-PSASIEDQSA-N
Mol Weight 183.21 g/mol
Molecular Formula C12H9NO
Exact Mass 183.068414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hc4wzSGa37J
Name 5-Cyano-benzobicyclo(2.2.1)hepten-2-one
CAS Registry Number 71925-40-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9NO
InChI InChI=1S/C12H9NO/c13-6-7-2-1-3-9-10-4-8(12(7)9)5-11(10)14/h1-3,8,10H,4-5H2/t8-,10-/m1/s1
InChIKey XYGORIQAOOUZPM-PSASIEDQSA-N
Instrument Name Bruker WP-80
Literature Reference T.J. Reitz, G.L. Grunewald, Org. Magn. Resonance 21, 596 (1983).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3