3343-41-7

Α-羟基-2-吡啶甲磺酸(3343-41-7)Raman光谱

产品名称:Α-羟基-2-吡啶甲磺酸

CAS:3343-41-7

分子式:C6H7NO4S

分子量: 189.19

InChI:InChI=1S/C6H7NO4S/c8-6(12(9,10)11)5-3-1-2-4-7-5/h1-4,6,8H,(H,9,10,11)

InChIKey: NXUYDMFMNBZBMY-UHFFFAOYSA-N

Smiles:C(O)(S(=O)(=O)O)C1=NC=CC=C1

Mass

MS-NW-9057          
hydroxy(2-pyridyl)methanesulfonic acid
C6H7NO4S            (Mass of molecular ion:    189)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       3.0
      18.0      17.3
      26.0       3.0
      27.0       3.5
      28.0       4.4
      29.0       2.3
      32.0       1.0
      37.0       1.2
      38.0       1.7
      39.0       4.0
      48.0      15.5
      49.0       1.7
      50.0       8.9
      51.0      26.5
      52.0      50.6
      53.0       5.6
      64.0      54.6
      66.0       2.7
      75.0       1.2
      76.0       1.6
      78.0      33.0
      79.0     100.0
      80.0       5.8
     106.0       1.9
     107.0      28.7
     108.0       3.6

parameter in DMSO-d6

¹H NMR	300 MHz
C₆ H₇ N O₄ S	saturated in DMSO-d₆
hydroxy(2-pyridyl)methanesulfonic acid

    Parameter     ppm  Hz

      D(A)         8.836
      D(B)         8.059
      D(C)         7.944
      D(D)         7.722
       J(A,B)          1.6
       J(A,C)          0.9
       J(A,D)          4.7
       J(B,C)          7.8
       J(B,D)          7.6
       J(C,D)          1.3
     
      D(E)         5.290

     Hz     ppm     Int.

   2654.37   8.848    172
   2653.44   8.845    214
   2652.94   8.843    216
   2651.97   8.840    183
   2649.67   8.832    185
   2648.74   8.829    221
   2648.24   8.827    220
   2647.30   8.824    179
   2426.72   8.089    103
   2425.16   8.084    103
   2419.03   8.063    249
   2417.49   8.058    246
   2411.43   8.038    185
   2409.86   8.033    183
   2387.77   7.959    209
   2386.63   7.955    302
   2385.60   7.952    224
   2379.97   7.933    143
   2378.90   7.930    193
   2377.80   7.926    136
   2323.22   7.744    159
   2321.88   7.740    156
   2318.55   7.728    161
   2317.18   7.724    165
   2315.75   7.719    154
   2314.35   7.714    140
   2311.02   7.703    135
   2309.65   7.699    129
   1587.00   5.290   1000

DMSO-d6