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[8-13C]-CYCLOHEPTA-1,4,6-TRIENYL-CYANIDE

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[8-13C]-CYCLOHEPTA-1,4,6-TRIENYL-CYANIDE
SpectraBase Compound ID 47Ys2ZxcSzN
InChI InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-3,5-6H,4H2
InChIKey GRJUPIMLSBHIQI-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Oi2dC7iFEe
Name [8-13C]-CYCLOHEPTA-1,4,6-TRIENYL-CYANIDE
Compound Number [8 -13C]22
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-3,5-6H,4H2
InChIKey GRJUPIMLSBHIQI-UHFFFAOYSA-N
Literature Reference Author B.S.MOORE,K.WALKER,I.TORNUS,S.HANDA,K.PORALLA,H.G.FLOSS
Literature Reference Citation J.ORG.CHEM.,62,2173(1997)
Literature Reference DOI 10.1021/jo962402o
Molecular Weight 117.150 g/mol
Solvent CDCl3
Source File Reference UWKP2133