1926-86-9

6-Amino-n-hexanoic acid n-hexyl ester p-toluenesulfonate(1926-86-9) ¹H NMR

Product Name6-Amino-n-hexanoic acid n-hexyl ester p-toluenesulfonate

CAS 1926-86-9

Molecular FormulaC19H33NO5S

Molecular Weight387.53

InChIInChI=1S/C12H25NO2.C7H8O3S/c1-2-3-4-8-11-15-12(14)9-6-5-7-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H2,1H3;2-5H,1H3,(H,8,9,10)

InChIKey RVALTWBPTNLNAV-UHFFFAOYSA-N

SmilesC1(S(=O)(=O)O)C=CC(C)=CC=1.O(CCCCCC)C(=O)CCCCCN

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¹HNMR

¹³CNMR

IR1

6-Amino-n-hexanoic acid n-hexyl ester p-toluenesulfonate(1926-86-9) <sup>1</sup>H NMR

    Assign.     Shift(ppm)

      A             7.74
      B             7.65
      C             7.19
      D             4.022
      E             2.76
      F             2.362
      G             2.14
      J             1.52
      K             1.31
      L             0.89

Spectral Code: 1H NMR : 90 MHz in CDCl3

6-Amino-n-hexanoic acid n-hexyl ester p-toluenesulfonate(1926-86-9) <sup>1</sup>H NMR

       ppm   Int.  Assign.

      173.42   572      1
      141.48   358      2
      140.73   612      3
      129.09  1000      4
      125.95   915      5
       64.48   517      6
       39.78   284      7
       33.92   443      8
       31.47   517      9
       28.65   478     10
       27.08   363     11 *
       25.89   398     12
       25.62   522     13 *
       24.28   433     14
       22.55   557     15
       21.30   428     16
       14.00   438     17

Spectral Code: 13C NMR : in CDCl3