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2-[4-(a,a-Dimethylbenzyl)phenoxy]-4'-iodoacetanilide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-[4-(a,a-Dimethylbenzyl)phenoxy]-4'-iodoacetanilide
SpectraBase Compound ID 56dXcr4KaaZ
InChI InChI=1S/C23H22INO2/c1-23(2,17-6-4-3-5-7-17)18-8-14-21(15-9-18)27-16-22(26)25-20-12-10-19(24)11-13-20/h3-15H,16H2,1-2H3,(H,25,26)
InChIKey UCKGFDDATSYGPF-UHFFFAOYSA-N
Mol Weight 471.34 g/mol
Molecular Formula C23H22INO2
Exact Mass 471.069524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kg93S5dSKM1
Name 2-[4-(A,A-Dimethylbenzyl)phenoxy]-4'-iodoacetanilide
Comments Computed using HOSE algorithm
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Exact Mass 471.069523950 u
Formula C23H22INO2
InChI InChI=1S/C23H22INO2/c1-23(2,17-6-4-3-5-7-17)18-8-14-21(15-9-18)27-16-22(26)25-20-12-10-19(24)11-13-20/h3-15H,16H2,1-2H3,(H,25,26)
InChIKey UCKGFDDATSYGPF-UHFFFAOYSA-N
Molecular Weight 471.338 g/mol
SMILES C(C)(C)(C1=CC=C(C=C1)OCC(NC1=CC=C(C=C1)I)=O)C1=CC=CC=C1