65039-18-1

4-n-Dodecyloxynitrobenzene(65039-18-1) IR1

Product Name4-n-Dodecyloxynitrobenzene

CAS 65039-18-1

Molecular FormulaC18H29NO3

Molecular Weight307.43

InChIInChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3

InChIKey VZOAOBWVYOLSII-UHFFFAOYSA-N

SmilesC1(OCCCCCCCCCCCC)=CC=C([N+]([O-])=O)C=C1

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¹HNMR

¹³CNMR

IR1

4-n-Dodecyloxynitrobenzene(65039-18-1) IR1

    Assign.     Shift(ppm)

      A             8.192
      B             6.940
      C             4.045
      D             1.819
      E             1.47
      F          1.37 to 1.28
      G             1.27
      J             0.880

Spectral Code: 1H NMR : 400 MHz in CDCl3

4-n-Dodecyloxynitrobenzene(65039-18-1) IR1

       ppm   Int.  Assign.

      164.32   148      1
      141.51    59      2
      125.89  1000      3
      114.47   998      4
       69.00   500      5
       31.96   466      6
       29.68   885      7 *
                        8 *
       29.61   686      9 *
       29.57   656     10 *
       29.36   770     11 *
                       12 *
       29.05   505     13
       25.97   487     14
       22.71   469     15
       14.09   376     16

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : nujol mull

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