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609-71-2

2-羟基烟酸(609-71-2)Raman光谱

产品名称:2-羟基烟酸

CAS:609-71-2

分子式:C6H5NO3

分子量: 139.11

InChI:InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)

InChIKey: UEYQJQVBUVAELZ-UHFFFAOYSA-N

Smiles:C1(=O)NC=CC=C1C(O)=O

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    Mass

    MS-NW-9926          
    2-hydroxynicotinic acid
    C6H5NO3             (Mass of molecular ion:    139)
    

       Source Temperature: 150 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          17.0       1.7
          18.0       9.2
          26.0       1.7
          27.0       2.3
          28.0      19.7
          29.0       2.0
          32.5       1.6
          36.0       1.0
          37.0       8.2
          38.0      16.4
          39.0      37.7
          40.0      11.4
          41.0      10.3
          41.5       1.2
          42.0       2.3
          43.0       1.2
          44.0       4.4
          45.0       3.4
          47.0       1.1
          49.0       1.5
          50.0       4.9
          51.0       4.2
          52.0       2.7
          53.0       6.1
          54.0       1.5
          55.0       3.6
          61.0       2.3
          63.0       1.0
          64.0       3.1
          65.0      12.6
          66.0      21.3
          67.0      26.4
          68.0       2.8
          69.0       1.2
          76.0       1.0
          77.0       3.1
          83.0       1.0
          93.0      30.4
          94.0      27.1
          95.0     100.0
          96.0       6.1
         120.0       1.5
         121.0       6.6
         122.0      10.2
         139.0      46.1
         140.0       6.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C6 H5 N O3 0.032 g : 0.5 ml DMSO-d6
    2-hydroxynicotinic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 14.8 B *1 13.4 C 8.421 D 7.992 E 6.723

         Hz     ppm     Int.
    

       5921.39  14.817     92
       5346.43  13.378     68
       3374.51   8.444     30
       3370.61   8.434    892
       3368.41   8.429    907
       3363.28   8.416    929
       3361.08   8.411    925
       3357.42   8.401     28
       3356.45   8.399     24
       3198.97   8.005    840
       3196.78   7.999    836
       3192.63   7.989    889
       3190.67   7.984    824
       3186.77   7.974     35
       2693.60   6.740    858
       2687.26   6.725   1000
       2686.52   6.723    958
       2680.18   6.707    823
       2675.54   6.695     23
    

in DMSO-d6

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KBr disc

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nujol mull

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