108-26-9

3-甲基-2-吡唑啉-5-酮(108-26-9)Raman光谱

产品名称:3-甲基-2-吡唑啉-5-酮

CAS:108-26-9

分子式:C4H6N2O

分子量: 98.1

InChI:InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7)

InChIKey: NHLAPJMCARJFOG-UHFFFAOYSA-N

Smiles:N1=C(C)CC(=O)N1

Mass

MS-NW-5510          
3-methyl-5-pyrazolone
C4H6N2O             (Mass of molecular ion:     98)

   Source Temperature: 140 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      14.0       1.3
      15.0       3.8
      26.0       4.5
      27.0       7.0
      28.0       6.9
      29.0       8.0
      30.0       1.6
      32.0       3.4
      37.0       4.5
      38.0       7.7
      39.0      34.4
      40.0       9.2
      41.0      50.8
      42.0       8.2
      43.0       2.9
      44.0       1.1
      51.0       1.4
      52.0       1.7
      53.0       2.0
      54.0      12.1
      55.0       4.6
      56.0      15.2
      57.0       1.4
      67.0      14.8
      68.0       2.6
      69.0      12.7
      70.0      13.3
      81.0       1.0
      97.0      11.7
      98.0     100.0
      99.0       5.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₆ N₂ O	0.038 g : 0.5 ml DMSO-d₆
3-methyl-5-pyrazolone

    Assign.     Shift(ppm)

      A            10.5
      B             5.239
      C             2.098

     Hz     ppm     Int.

   2094.14   5.240    336
   2093.41   5.239    313
    837.80   2.097   1000
    837.07   2.095    838

DMSO-d6

KBr disc

nujol mull

4880 A,200 M,powder

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