1804-15-5

丙酮醛二肟(1804-15-5)质谱(MS)

产品名称:丙酮醛二肟

CAS:1804-15-5

分子式:C3H6N2O2

分子量: 102.09

InChI:InChI=1S/C3H6N2O2/c1-3(5-7)2-4-6/h2,6-7H,1H3

InChIKey: KFTHGQZJWAXFGG-UHFFFAOYSA-N

Smiles:C(=NO)C(=NO)C

Mass

MS-NW-5401          
pyruvaldehyde dioxime
C3H6N2O2            (Mass of molecular ion:    102)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      12.0       2.5
      13.0       2.6
      14.0       8.3
      15.0      57.1
      16.0      10.0
      17.0      10.6
      18.0      41.7
      19.0       2.0
      24.0       1.2
      25.0       3.3
      26.0      17.5
      27.0      75.2
      28.0      96.3
      29.0      10.9
      30.0      30.8
      31.0      21.4
      32.0       1.2
      33.0       2.5
      37.0       2.5
      38.0      13.3
      39.0      23.9
      40.0      46.3
      41.0      77.5
      42.0      81.0
      43.0      25.5
      44.0      52.4
      45.0       2.9
      46.0       1.4
      50.0       1.0
      51.0       6.4
      52.0      13.2
      53.0      17.9
      54.0      81.2
      55.0      33.4
      56.0       4.7
      57.0      76.7
      58.0      29.2
      59.0       1.4
      66.0       3.6
      67.0       5.7
      68.0       3.9
      69.0       5.1
      70.0       6.7
      71.0       1.6
      72.0       1.8
      84.0      38.0
      85.0      50.3
      86.0       3.9
      87.0       1.6
     100.0       1.9
     102.0     100.0
     103.0       4.7

parameter in D2O

¹H NMR	300 MHz
C₃ H₆ N₂ O₂	0.018 g : 0.5 ml D₂O
pyruvaldehyde dioxime

    Parameter     ppm  Hz

      D(A)         7.798
     
      D(B)         2.048

     Hz     ppm     Int.

   2339.41   7.798    333
    614.42   2.048   1000

KBr disc

nujol mull

4880 A,200 M,powder