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873-62-1

3-羥基苯腈(873-62-1)質(zhì)譜(MS)

產(chǎn)品名稱:3-羥基苯腈

CAS:873-62-1

分子式:C7H5NO

分子量: 119.12

InChI:InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H

InChIKey: SGHBRHKBCLLVCI-UHFFFAOYSA-N

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

  • 圖譜
    Mass

    MS-NW-8723          
    m-hydroxybenzonitrile
    C7H5NO              (Mass of molecular ion:    119)
    

       Source Temperature: 270 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.4
          37.0       2.9
          38.0       4.3
          39.0       6.2
          40.0       1.1
          41.0       2.4
          45.5       1.3
          50.0       2.7
          51.0       2.2
          52.0       3.0
          53.0       1.6
          59.5       1.9
          61.0       1.5
          62.0       2.7
          63.0       9.0
          64.0      16.0
          65.0       3.6
          75.0       1.8
          76.0       1.4
          80.0       1.3
          90.0       4.4
          91.0      21.0
          92.0       3.6
         119.0     100.0
         120.0       8.2
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C7 H5 N O 0.038 g : 0.5 ml CDCl3
    m-hydroxybenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.349 B 7.235 C 7.178 D 7.151 E 6.85

         Hz     ppm     Int.
    

       2946.41   7.373    401
       2945.92   7.372    410
       2938.23   7.353   1000
       2930.54   7.333    650
       2930.05   7.332    704
       2895.75   7.246    508
       2894.29   7.243    754
       2893.19   7.240    658
       2888.06   7.227    406
       2886.60   7.223    587
       2885.62   7.221    476
       2870.61   7.183    590
       2869.63   7.181    536
       2868.53   7.178    892
       2868.04   7.177    873
       2867.07   7.174    831
       2866.58   7.173    731
       2863.16   7.165    671
       2862.18   7.162    709
       2860.60   7.158    447
       2859.62   7.156    412
       2854.98   7.144    506
       2854.00   7.142    523
       2852.42   7.138    429
       2851.44   7.135    390
       2738.53   6.853    126
    

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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