40975-41-5

Nicotinic acid n-octyl ester(40975-41-5) IR1

Product NameNicotinic acid n-octyl ester

CAS 40975-41-5

Molecular FormulaC14H21NO2

Molecular Weight235.32

InChIInChI=1S/C14H21NO2/c1-2-3-4-5-6-7-11-17-14(16)13-9-8-10-15-12-13/h8-10,12H,2-7,11H2,1H3

InChIKey TYBQVEHLLOHMLT-UHFFFAOYSA-N

SmilesC1(C=NC=CC=1)C(=O)OCCCCCCCC

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¹HNMR

¹³CNMR

IR1

Nicotinic acid n-octyl ester(40975-41-5) IR1

    Assign.     Shift(ppm)

      A             9.232
      B             8.771
      C             8.295
      D             7.386
      E             4.350
      F             1.79
      G          1.59 to 1.12
      J             0.89

Spectral Code: 1H NMR : 90 MHz in CDCl3

Nicotinic acid n-octyl ester(40975-41-5) IR1

       ppm   Int.  Assign.

      165.28   376      1
      153.35   772      2
      150.97   706      3
      136.97   873      4
      126.45   325      5
      123.25   660      6
       65.58   695      7
       31.82   690      8
       29.25  1000      9
                       10
       28.73   822     11
       26.06   792     12
       22.68   848     13
       14.09   772     14

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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