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返回ChemicalBook首页>CAS数据库列表>4421-08-3更多图谱> 4-羟基-3-甲氧基苯甲腈(4421-08-3)红外图谱(IR2)

4421-08-3

4-羟基-3-甲氧基苯甲腈(4421-08-3)红外图谱(IR2)

分子式:C8H7NO2

分子量: 149.15

InChI:InChI=1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3

InChIKey: QJRWLNLUIAJTAD-UHFFFAOYSA-N

Smiles:C(#N)C1=CC=C(O)C(OC)=C1

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    Mass

    MS-NW-7649          
    4-hydroxy-3-methoxybenzonitrile
    C8H7NO2             (Mass of molecular ion:    149)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       2.6
          18.0       1.0
          26.0       2.6
          27.0       4.2
          28.0       4.2
          29.0       2.8
          31.0       1.5
          37.0       3.4
          38.0       3.6
          39.0       3.7
          49.0       1.2
          50.0       6.5
          51.0      17.0
          52.0       6.9
          53.0       4.4
          54.0       1.2
          55.0       1.5
          61.0       1.7
          62.0       3.8
          63.0       7.3
          64.0       4.2
          65.0       2.4
          66.0       1.1
          75.0       2.2
          76.0       3.9
          77.0       6.4
          78.0       4.5
          79.0       2.4
          88.0       1.3
          89.0       1.2
          90.0       1.6
          92.0       1.4
          93.0       1.1
         106.0      50.7
         107.0       3.9
         120.0       1.1
         134.0     100.0
         135.0       8.6
         149.0      91.7
         150.0       8.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H7 N O2 0.041 g : 0.5 ml CDCl3
    4-hydroxy-3-methoxybenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.226 B 7.093 C 6.964 D 6.38 E 3.927

         Hz     ppm     Int.
    

       2893.43   7.240    121
       2891.60   7.236    139
       2885.13   7.220    135
       2883.30   7.215    156
       2835.94   7.097    199
       2834.11   7.092    211
       2786.87   6.974    233
       2778.56   6.953    203
       2551.76   6.385    260
       1569.46   3.928   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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