85264-33-1

二甲基羟甲基吡唑(85264-33-1)核磁图(¹HNMR)

产品名称:二甲基羟甲基吡唑

CAS:85264-33-1

分子式:C6H10N2O

分子量: 126.16

InChI:InChI=1S/C6H10N2O/c1-5-3-6(2)8(4-9)7-5/h3,9H,4H2,1-2H3

InChIKey: OBENDWOJIFFDLZ-UHFFFAOYSA-N

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

Mass

MS-IW-4849          
3,5-dimethyl-1-pyrazolemethanol
C6H10N2O            (Mass of molecular ion:    126)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.8
      18.0       3.9
      26.0       1.5
      27.0       4.0
      28.0      11.7
      29.0      24.6
      30.0      20.5
      31.0       2.5
      38.0       1.7
      39.0      10.0
      40.0       3.4
      41.0      11.6
      42.0      10.9
      43.0       2.6
      45.0       1.0
      47.0       1.5
      51.0       1.6
      52.0       2.3
      53.0       1.9
      54.0      18.3
      55.0       6.1
      56.0       3.2
      63.0       1.3
      65.0       4.0
      66.0       1.8
      67.0       3.6
      68.0       5.7
      69.0       1.7
      78.0       1.0
      81.0      16.2
      94.0       1.2
      95.0      84.0
      96.0     100.0
      97.0       7.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₀ N₂ O	0.040 g : 0.5 ml CDCl₃
3,5-dimethyl-1-pyrazolemethanol

    Assign.     Shift(ppm)

      A             7.97
      B             5.826
      C             5.396
      D             2.332
      E             2.186

     Hz     ppm     Int.

   3193.60   7.991     29
   3186.28   7.973     57
   3185.91   7.972     57
   3178.71   7.954     29
   2328.61   5.827    249
   2160.03   5.405    161
   2153.08   5.388    164
    932.50   2.334    844
    931.88   2.332    826
    873.66   2.187   1000
    869.02   2.175     45

in CDCl3