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Back ChemicalBook Home>CAS DataBase List>611-36-9More Spectrum> 4-Hydroxyquinoline(611-36-9) MS

4-Hydroxyquinoline(611-36-9) MS

Product Name4-Hydroxyquinoline

CAS611-36-9

Molecular FormulaC9H7NO

Molecular Weight145.16

InChIInChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)

InChIKey PMZDQRJGMBOQBF-UHFFFAOYSA-N

SmilesN1C2C(=CC=CC=2)C(O)=CC=1


  • Mass

    MS-NW-2248          
    4-quinolone
    C9H7NO              (Mass of molecular ion:    145)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       3.4
          26.0       1.2
          28.0       1.9
          37.0       1.4
          38.0       2.3
          39.0       4.6
          41.0       1.0
          50.0       3.8
          51.0       2.8
          52.0       2.1
          53.0       1.4
          58.5       7.2
          61.0       1.4
          62.0       3.2
          63.0       8.3
          64.0       5.6
          65.0       1.7
          72.5       1.7
          74.0       2.2
          75.0       1.6
          76.0       2.2
          77.0       3.2
          88.0       1.1
          89.0      15.9
          90.0      19.9
          91.0       2.9
          92.0       3.2
         104.0       2.0
         105.0       1.2
         116.0       8.4
         117.0      55.3
         118.0       5.7
         144.0       4.1
         145.0     100.0
         146.0      10.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H7 N O 0.047 g : 0.5 ml DMSO-d6
    4-quinolone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.91 B 8.167 C 7.970 D 7.678 E 7.605 F 7.358 G 6.115 J(C,G)=7.4HZ.

         Hz     ppm     Int.
    

       4758.85  11.908    193
       3273.55   8.192     35
       3268.61   8.179    520
       3267.51   8.176    547
       3264.03   8.168     64
       3263.66   8.167     64
       3260.91   8.160    511
       3260.55   8.159    541
       3259.45   8.156    551
       3196.44   7.999     30
       3195.16   7.995     36
       3189.11   7.980    823
       3185.81   7.972     92
       3185.08   7.970     93
       3181.60   7.961    816
       3178.49   7.954     57
       3081.04   7.710     35
       3080.49   7.708     37
       3077.75   7.702    262
       3076.10   7.697    279
       3073.90   7.692     62
       3073.53   7.691     62
       3070.79   7.684    335
       3069.32   7.681    667
       3067.86   7.677    456
       3065.29   7.670     69
       3062.36   7.663    486
       3060.90   7.659    483
       3056.68   7.649     34
       3056.13   7.648     30
       3054.30   7.643     31
       3053.75   7.642     30
       3053.20   7.640     31
       3052.84   7.639     31
       3052.47   7.638     30
       3052.10   7.637     31
       3051.74   7.637     31
       3051.19   7.635     32
       3050.82   7.634     30
       3050.09   7.632     33
       3049.72   7.631     34
       3049.17   7.630     34
       3041.85   7.612    701
       3033.97   7.592    412
       3033.42   7.591    395
       2952.64   7.389     34
       2951.18   7.385     45
       2948.06   7.377    367
       2946.97   7.374    375
       2944.40   7.368     67
       2941.10   7.360    387
       2940.01   7.357    646
       2938.91   7.354    401
       2933.05   7.340    313
       2931.95   7.337    308
       2453.15   6.139     33
       2451.50   6.135     53
       2447.47   6.125   1000
       2440.14   6.106    981
       2436.66   6.097     47
    

in DMSO-d6



KBr disc



nujol mull





4-Hydroxyquinoline(611-36-9) MS Atlas of Related Products

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