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2-Butyl-3-(4-[N,N-diethylaminoethoxy]-3,5-diiodo-benzoyl)-benzofuran cation

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2-Butyl-3-(4-[N,N-diethylaminoethoxy]-3,5-diiodo-benzoyl)-benzofuran cation
SpectraBase Compound ID JkMvUKnrlqk
InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3/p+1
InChIKey IYIKLHRQXLHMJQ-UHFFFAOYSA-O
Mol Weight 646.33 g/mol
Molecular Formula C25H30I2NO3
Exact Mass 646.031509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IklRYvPihNE
Name 2-Butyl-3-(4-[N,N-diethylaminoethoxy]-3,5-diiodo-benzoyl)-benzofuran cation
Comments HYDROCHLORIDE, SHIFTCORRECTION: +2.3 PPM (STANDARD: TMS) (A.H.)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C25H30I2NO3
InChI InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3/p+1
InChIKey IYIKLHRQXLHMJQ-UHFFFAOYSA-O
Instrument Name Bruker WM-250
Literature Reference C. Deleuze, D. Nisato, V.L. Gatto, Magn. Res. Chem. 25, 227 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3