609-71-2

2-羥基煙酸(609-71-2)核磁圖(¹HNMR)

產(chǎn)品名稱:2-羥基煙酸

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

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

¹H NMR	399.65 MHz
C₆ H₅ N O₃	0.032 g : 0.5 ml DMSO-d₆
2-hydroxynicotinic acid

    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