28710-97-6

3 -氨基- 1 -苯基-1H -吡唑- 5-醇(28710-97-6)质谱(MS)

产品名称:3 -氨基- 1 -苯基-1H -吡唑- 5-醇

CAS:28710-97-6

分子式:C9H9N3O

分子量: 175.19

InChI:InChI=1S/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-6,11H,10H2

InChIKey: PVKNQGWSRAGMNM-UHFFFAOYSA-N

Smiles:N1C(N)=CC(=O)N1C1=CC=CC=C1

Mass

MS-NW-6183          
3-amino-1-phenyl-2-pyrazolin-5-one
C9H9N3O             (Mass of molecular ion:    175)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       3.8
      18.0       4.1
      27.0       1.5
      28.0       2.8
      38.0       2.2
      39.0       3.5
      40.0       2.2
      41.0      18.3
      42.0     100.0
      43.0       3.6
      50.0       3.4
      51.0      10.3
      52.0       1.8
      55.0       1.2
      63.0       3.4
      64.0       5.7
      65.0       2.6
      68.0       1.1
      74.0       1.0
      76.0       1.0
      77.0      17.7
      78.0       7.7
      79.0       5.7
      87.5       1.8
      91.0      18.1
      92.0       2.3
      93.0       1.2
     104.0       2.0
     105.0       2.2
     158.0       3.2
     174.0       1.1
     175.0      86.3
     176.0       9.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₉ N₃ O	0.038 g : 0.5 ml DMSO-d₆
3-amino-1-phenyl-2-pyrazolin-5-one

    Assign.     Shift(ppm)

      A             7.847
      B             7.355
      C             7.072
      D             6.44
      E             3.601

     Hz     ppm     Int.

   3140.14   7.858    421
   3132.45   7.838    442
   2949.34   7.380    174
   2947.51   7.376    740
   2945.56   7.371    300
   2940.19   7.357   1000
   2938.84   7.354    924
   2933.35   7.340    309
   2931.40   7.335    768
   2929.44   7.331    131
   2833.13   7.090    289
   2825.81   7.071    481
   2818.36   7.053    224
   2574.95   6.444    545
   1466.06   3.669     32
   1464.97   3.666     34
   1439.33   3.602    451
   1419.07   3.551     78

in DMSO-d6