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3-(ORTHO-IODOPHENYL)-PROPYL-2'-((ORTHO'-CYANO-[(13)-CN]-METHYL)-PHENYL)-METHOXY-ETHYLETHER
SpectraBase Compound ID KXzimwYhEaW
InChI InChI=1S/C20H22INO2/c21-20-10-4-3-7-18(20)9-5-13-23-14-15-24-16-19-8-2-1-6-17(19)11-12-22/h1-4,6-8,10H,5,9,11,13-16H2/i12+1
InChIKey WZJKSEBXKNUVFW-HNHCFKFXSA-N
Mol Weight 436.3 g/mol
Molecular Formula C1913CH22INO2
Exact Mass 436.072879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23p3CTf9zCK
Name 3-(ORTHO-IODOPHENYL)-PROPYL-2'-((ORTHO'-CYANO-[(13)-CN]-METHYL)-PHENYL)-METHOXY-ETHYLETHER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1913CH22INO2
InChI InChI=1S/C20H22INO2/c21-20-10-4-3-7-18(20)9-5-13-23-14-15-24-16-19-8-2-1-6-17(19)11-12-22/h1-4,6-8,10H,5,9,11,13-16H2/i12+1
InChIKey WZJKSEBXKNUVFW-HNHCFKFXSA-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 436.297 g/mol
Sample ID 41203
Solvent CDCl3