100-12-9

Ethyl 4-nitrobenzoate(100-12-9) MS

Product NameEthyl 4-nitrobenzoate

CAS 100-12-9

Molecular FormulaC8H9NO2

Molecular Weight151.16

InChIInChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3

InChIKey RESTWAHJFMZUIZ-UHFFFAOYSA-N

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

Request For Quotation

¹³CNMR

IR1

Ethyl 4-nitrobenzoate(100-12-9) MS
Mass

MS-NW-0973          
1-ethyl-4-nitrobenzene
C8H9NO2             (Mass of molecular ion:    151)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.9
      26.0       1.3
      27.0      19.7
      28.0       3.9
      29.0       3.1
      30.0      19.0
      37.0       1.6
      38.0       4.5
      39.0      23.1
      40.0       2.2
      41.0       3.3
      46.0       1.3
      50.0      17.1
      51.0      30.0
      52.0       7.6
      53.0       8.8
      61.0       1.8
      62.0       5.8
      63.0      17.7
      64.0       5.2
      65.0      11.5
      66.0       1.7
      74.0       5.7
      75.0       5.2
      76.0       5.1
      77.0      82.0
      78.0      32.6
      79.0      60.5
      80.0       4.1
      87.0       1.0
      89.0      15.4
      90.0      10.4
      91.0      10.3
      92.0       1.9
      93.0      11.1
     102.0       3.7
     103.0      34.2
     104.0      18.6
     105.0      84.6
     106.0      20.9
     107.0       2.0
     121.0      12.6
     122.0       1.1
     134.0      11.4
     135.0       4.9
     136.0      26.3
     137.0       2.0
     151.0     100.0
     152.0       9.6

in CDCl3