BETA-CARBONAPHTHOXYCHOLINE IODIDE(63175-14-4) IR2
Product NameBETA-CARBONAPHTHOXYCHOLINE IODIDE
CAS63175-14-4
Molecular FormulaC16H20INO3
Molecular Weight401.24
InChIInChI=1S/C16H20NO3.HI/c1-17(2,3)10-11-19-16(18)20-15-9-8-13-6-4-5-7-14(13)12-15;/h4-9,12H,10-11H2,1-3H3;1H/q+1;/p-1
InChIKey MJOPOXYNSSGQHL-UHFFFAOYSA-M
SmilesC12C=CC=CC1=CC=C(OC(=O)OCC[N+](C)(C)C)C=2.[I-]
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H20 I N O3 0.046 g : 0.5 ml CDCl3 o-(2-naphthyloxycarbonyl)choline iodide 
Assign. Shift(ppm)
A 7.91 to 7.57 B 7.54 to 7.09 C 4.65 D 3.98 E 3.29
Hz ppm Int.702.06 7.839 103 700.75 7.825 88 700.38 7.821 90 696.94 7.782 94 693.25 7.741 244 691.69 7.724 156 690.50 7.710 161 688.69 7.690 192 686.69 7.668 199 668.44 7.464 139 665.56 7.432 109 664.94 7.425 104 664.56 7.421 103 663.13 7.405 154 660.88 7.380 168 659.06 7.359 155 656.63 7.332 95 654.00 7.303 190 648.94 7.246 126 418.81 4.677 72 417.44 4.662 72 416.81 4.654 72 359.31 4.012 76 359.00 4.009 77 358.63 4.005 79 358.31 4.001 79 358.00 3.998 78 356.81 3.985 72 353.50 3.948 72 294.69 3.291 1000 289.06 3.228 110
KBr disc
nujol mull
