100-02-7

4-硝基苯酚(100-02-7)红外图谱(IR2)

产品名称:4-硝基苯酚

CAS:100-02-7

分子式:C6H5NO3

分子量: 139.11

InChI:InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

InChIKey: BTJIUGUIPKRLHP-UHFFFAOYSA-N

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

Mass

MS-NW-1737          
p-nitrophenol
C6H5NO3             (Mass of molecular ion:    139)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      18.0       1.6
      26.0       3.4
      27.0       7.0
      28.0       4.8
      29.0       2.7
      30.0       8.9
      37.0       5.3
      38.0      13.1
      39.0      64.6
      40.0       2.4
      42.0       1.2
      43.0       1.0
      46.0       1.1
      49.0       1.6
      50.0       8.5
      51.0       7.6
      52.0       5.5
      53.0      14.1
      54.0       2.1
      55.0       3.0
      60.0       1.1
      61.0       5.8
      62.0      11.6
      63.0      24.2
      64.0      10.7
      65.0     100.0
      66.0       6.3
      67.0       1.4
      73.0       1.1
      74.0       4.4
      75.0       3.4
      79.0       1.0
      81.0      28.7
      82.0       1.8
      92.0       2.5
      93.0      23.4
      94.0       1.6
     107.0       1.1
     109.0      58.1
     110.0       4.0
     123.0       4.6
     139.0      80.4
     140.0       5.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₅ N O₃	saturated in DMSO-d₆
p-nitrophenol

    Assign.     Shift(ppm)

      A            11.1
      B             8.139
      C             6.959

     Hz     ppm     Int.

   4422.37  11.066     22
   3260.91   8.160     98
   3257.43   8.151    926
   3255.24   8.146    306
   3253.04   8.140     48
   3250.47   8.134    292
   3248.27   8.128    977
   3244.79   8.120    101
   2789.44   6.980    106
   2786.15   6.972    980
   2783.95   6.966    293
   2781.38   6.960     44
   2779.00   6.954    294
   2776.80   6.949   1000
   2773.32   6.940     94

DMSO-d6