23003-22-7

3-羟基-2(1H)-吡啶硫酮(23003-22-7)核磁图(¹HNMR)

产品名称:3-羟基-2(1H)-吡啶硫酮

CAS:23003-22-7

分子式:C5H5NOS

分子量: 127.16

InChI:InChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)

InChIKey: MARYDOMJDFATPK-UHFFFAOYSA-N

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

Mass

MS-NW-7657          
2-mercapto-3-pyridinol
C5H5NOS             (Mass of molecular ion:    127)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      26.0       1.1
      27.0       1.9
      28.0       6.3
      37.0       1.7
      38.0       6.2
      39.0      19.2
      40.0       2.0
      41.0       1.3
      44.0       1.2
      45.0       5.6
      49.5       2.1
      52.0       1.9
      53.0       1.4
      54.0       6.5
      55.0      14.8
      59.0       1.0
      60.0       1.5
      63.5       2.1
      64.0       1.7
      65.0       4.2
      66.0       2.9
      67.0       2.5
      69.0       2.4
      70.0       1.9
      71.0       5.6
      72.0       6.7
      82.0       3.0
      83.0      28.7
      84.0       1.5
      93.0       2.3
      94.0       1.3
      98.0       6.1
      99.0       7.5
     100.0       1.7
     127.0     100.0
     128.0       7.2
     129.0       4.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₅ N O S	0.039 g : 0.5 ml DMSO-d₆
2-mercapto-3-pyridinol

    Assign.     Shift(ppm)

      A            14.0
      B             8.36
      C             7.429
      D             7.129
      E             6.810

     Hz     ppm     Int.

   5591.25  13.991    119
   3358.90   8.405     26
   3355.48   8.397     39
   3342.02   8.363    764
   2972.77   7.439    682
   2971.70   7.436    701
   2966.58   7.423    718
   2965.72   7.421    696
   2862.08   7.162     23
   2853.75   7.141    881
   2852.47   7.138    885
   2846.06   7.122   1000
   2844.99   7.119    922
   2728.32   6.827    674
   2722.12   6.812    779
   2720.84   6.809    736
   2714.64   6.793    563

DMSO-d6