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6602-32-0

2-溴-3-羟基吡啶(6602-32-0)Raman光谱

产品名称:2-溴-3-羟基吡啶

CAS:6602-32-0

分子式:C5H4BrNO

分子量: 174

InChI:InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H

InChIKey: YKHQFTANTNMYPP-UHFFFAOYSA-N

Smiles:C1(Br)=NC=CC=C1O

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    Mass

    MS-IW-0603          
    2-bromo-3-pyridinol
    C5H4BrNO            (Mass of molecular ion:    173)
    

       Source Temperature: 120 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          18.0       3.3
          28.0       1.7
          37.0       2.8
          38.0      11.0
          39.0      23.8
          40.0       2.6
          54.0       1.7
          64.0       5.0
          65.0      29.3
          66.0      16.8
          67.0       8.4
          93.0      60.3
          94.0      51.0
          95.0       3.2
         173.0     100.0
         174.0       6.9
         175.0      97.6
         176.0       6.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C5 H4 Br N O 0.041 g : 0.5 ml DMSO-d6
    2-bromo-3-pyridinol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.82 B 7.862 C 7.304 D 7.272

         Hz     ppm     Int.
    

       4326.02  10.825    119
       3145.15   7.870    679
       3143.32   7.866    772
       3140.76   7.859    649
       3138.92   7.855    676
       2925.72   7.321    326
       2923.89   7.317    387
       2921.32   7.310     41
       2917.66   7.301    923
       2915.83   7.296    862
       2910.70   7.284   1000
       2906.30   7.273    943
       2902.64   7.263    370
       2898.24   7.252    364
    

in DMSO-d6

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KBr disc

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nujol mull

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