ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>5600-62-4更多图谱> 4-(4-硝基苯基)丁酸(5600-62-4)核磁图(13CNMR)

5600-62-4

4-(4-硝基苯基)丁酸(5600-62-4)核磁图(13CNMR)

分子式:C10H11NO4

分子量: 209.2

InChI:InChI=1S/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13)

InChIKey: WQMLUHZFRFCQDB-UHFFFAOYSA-N

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

  • 图谱
    Mass

    MS-NW-6881          
    4-(p-nitrophenyl)butyric acid
    C10H11NO4           (Mass of molecular ion:    209)
    

       Source Temperature: 210 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          27.0       4.8
          28.0       1.9
          29.0       1.4
          30.0      11.1
          38.0       1.2
          39.0       9.2
          40.0       1.3
          41.0       3.9
          42.0       2.8
          43.0       1.8
          45.0       4.9
          50.0       4.0
          51.0       7.9
          52.0       2.6
          53.0       1.4
          55.0       3.7
          57.5       1.0
          58.0       2.3
          60.0      47.9
          61.0       1.4
          62.0       2.3
          63.0       7.6
          64.0       2.9
          65.0       5.5
          73.0       1.1
          74.0       1.2
          75.0       1.5
          76.0       1.8
          77.0      12.0
          78.0      13.8
          79.0       2.4
          89.0      12.6
          90.0      10.9
          91.0      13.4
          92.0       3.2
         102.0       2.2
         103.0      16.4
         104.0       8.4
         105.0       1.7
         106.0       5.0
         107.0       2.9
         115.0       8.9
         116.0       4.2
         117.0       6.5
         118.0       1.4
         119.0       4.9
         120.0       5.8
         132.0       1.1
         133.0      16.8
         134.0       1.8
         136.0       3.3
         146.0       1.9
         149.0      13.5
         150.0     100.0
         151.0       9.4
         161.0       1.5
         162.0       1.6
         163.0       3.1
         191.0      26.8
         192.0      35.3
         193.0       4.9
         209.0      30.0
         210.0       3.9
    

90 MHz in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C10 H11 N O4 0.042 g : 0.5 ml CDCl3
    4-(p-nitrophenyl)butyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.42 B 8.14 C 7.35 D 2.79 E 2.41 F 2.03

         Hz     ppm     Int.
    

       1021.46  11.406    126
        736.91   8.229    113
        734.44   8.201    769
        732.56   8.180    279
        729.99   8.151     72
        727.69   8.126    310
        725.63   8.103   1000
        723.41   8.078    184
        665.31   7.429    144
        663.00   7.403    833
        660.95   7.380    283
        658.22   7.350     89
        656.16   7.327    262
        654.20   7.305    664
        652.40   7.285    146
        651.38   7.274    249
        258.83   2.891    266
        255.75   2.856     68
        255.32   2.851     69
        251.56   2.809    504
        247.03   2.759    108
        246.69   2.755    106
        243.79   2.723    444
        225.07   2.514    206
        223.54   2.496    222
        221.74   2.476     99
        221.23   2.471    100
        220.80   2.466    102
        220.29   2.460    106
        216.70   2.420    623
        213.62   2.386    128
        212.60   2.374    126
        210.63   2.352    508
        209.69   2.342    487
        206.70   2.308     76
        206.10   2.302     71
        205.59   2.296     62
        194.31   2.170    149
        192.60   2.151    143
        191.06   2.134     66
        190.72   2.130     68
        187.73   2.097    267
        187.05   2.089    252
        185.51   2.072    318
        181.58   2.028    183
        178.93   1.998    397
        175.51   1.960     82
        175.17   1.956     83
        173.72   1.940    117
        172.44   1.926    182
        171.84   1.919    181
        170.98   1.910    152
    

in CDCl3

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

4880 A,200 M,powder

  • 图谱

×