619-50-1

Methyl 4-nitrobenzoate(619-50-1) ¹³C NMR

Product NameMethyl 4-nitrobenzoate

CAS 619-50-1

Molecular FormulaC8H7NO4

Molecular Weight181.15

InChIInChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3

InChIKey YOJAHJGBFDPSDI-UHFFFAOYSA-N

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

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Methyl 4-nitrobenzoate(619-50-1) <sup>13</sup>C NMR
Mass

MS-NW-1471          
methyl p-nitrobenzoate
C8H7NO4             (Mass of molecular ion:    181)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       6.6
      28.0       2.1
      29.0       1.1
      30.0       2.9
      37.0       1.3
      38.0       2.3
      39.0       2.7
      50.0      19.1
      51.0       3.0
      53.0       1.2
      59.0       2.9
      62.0       1.1
      63.0       3.4
      64.0       4.0
      65.0       1.4
      73.0       1.1
      74.0       7.5
      75.0      16.2
      76.0      21.6
      77.0       7.2
      92.0      14.0
      93.0       1.0
     103.0       9.8
     104.0      25.8
     105.0       2.4
     119.0       5.6
     120.0      15.5
     121.0       1.3
     122.0       1.0
     123.0       1.3
     134.0       3.2
     135.0       7.0
     150.0     100.0
     151.0       9.0
     152.0       1.0
     164.0      15.6
     165.0       2.3
     180.0       3.0
     181.0      33.8
     182.0       3.2

90 MHz in CDCl3

Methyl 4-nitrobenzoate(619-50-1) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₈ H₇ N O₄	0.048 g : 0.5 ml CDCl₃
methyl p-nitrobenzoate

    Assign.     Shift(ppm)

      A             8.26
      B             8.24
      C             3.987

     Hz     ppm     Int.

    748.94   8.363     26
    739.63   8.259    322
    737.63   8.237    303
    734.75   8.205     24
    728.44   8.134     25
    357.13   3.988   1000

in CDCl3