4-tert-Butyl-2-nitrophenol(3279-07-0) MS

Product Name4-tert-Butyl-2-nitrophenol

CAS 3279-07-0

Molecular FormulaC10H13NO3

Molecular Weight195.22

InChIInChI=1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3

InChIKey IHGNADPMUSNTJW-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9052          
4-tert-butyl-2-nitrophenol
C10H13NO3           (Mass of molecular ion:    195)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.4
      28.0       1.1
      29.0       2.0
      39.0       4.6
      41.0       5.0
      43.0       1.1
      51.0       3.1
      52.0       1.0
      53.0       3.3
      55.0       1.7
      57.0       1.2
      63.0       2.3
      65.0       3.2
      77.0       6.2
      78.0       1.9
      79.0       4.1
      89.0       1.4
      90.0       1.0
      91.0       3.5
     103.0       1.9
     104.0       1.1
     105.0       3.7
     106.0       2.3
     107.0       1.2
     119.0       2.2
     122.0       1.9
     132.0       1.1
     133.0       4.4
     134.0      17.8
     135.0       2.4
     152.0      10.3
     163.0       1.1
     164.0       1.2
     180.0     100.0
     181.0      10.5
     182.0       1.1
     195.0      13.8
     196.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₃ N O₃	0.05 ml : 0.5 ml CDCl₃
4-tert-butyl-2-nitrophenol

    Assign.     Shift(ppm)

      A            10.5
      B             8.067
      C             7.647
      D             7.090
      E             1.328

     Hz     ppm     Int.

   4183.80  10.469    235
   3225.25   8.071    120
   3222.66   8.064    118
   3061.83   7.662     62
   3059.39   7.656     59
   3053.13   7.640     67
   3050.69   7.634     63
   2839.66   7.106    128
   2830.81   7.084    122
    530.70   1.328   1000

in CDCl3