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ORTHO-IODOBENZYL-CYANIDE-[(13)-CN]

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ORTHO-IODOBENZYL-CYANIDE-[(13)-CN]
SpectraBase Compound ID C5t5ClW6WsY
InChI InChI=1S/C8H6IN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2/i6+1
InChIKey FPSGTRJUQLYLHE-PTQBSOBMSA-N
Mol Weight 244.04 g/mol
Molecular Formula C713CH6IN
Exact Mass 243.957849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qvM9vipucY
Name ORTHO-IODOBENZYL-CYANIDE-[(13)-CN]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C713CH6IN
InChI InChI=1S/C8H6IN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2/i6+1
InChIKey FPSGTRJUQLYLHE-PTQBSOBMSA-N
Literature Reference Author P.BEAK,K.C.BASU,J.J.LI
Literature Reference Citation J.ORG.CHEM.,64,5218(1999)
Literature Reference DOI 10.1021/jo990509g
Molecular Weight 244.039 g/mol
Sample ID 41207
Solvent CDCl3