BETA-CARBONAPHTHOXYCHOLINE IODIDE(63175-14-4) IR1

Product NameBETA-CARBONAPHTHOXYCHOLINE IODIDE

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-]

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¹HNMR

IR1

IR2

90 MHz in CDCl3

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

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