17536-00-4

3,5-二异丙基吡唑(17536-00-4)质谱(MS)

产品名称:3,5-二异丙基吡唑

CAS:17536-00-4

分子式:C9H16N2

分子量: 152.24

InChI:InChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h5-7H,1-4H3,(H,10,11)

InChIKey: PJSJVTZSFIRYIZ-UHFFFAOYSA-N

Smiles:N1C(C(C)C)=CC(C(C)C)=N1

Mass

MS-IW-8166          
3,5-diisopropylpyrazole
C9H16N2             (Mass of molecular ion:    152)

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

      27.0       2.3
      28.0       1.5
      39.0       2.9
      41.0       6.4
      42.0       2.2
      43.0       5.7
      53.0       1.6
      54.0       1.6
      60.0       1.6
      60.5       2.1
      61.0       2.5
      65.0       1.1
      66.0       1.5
      67.0       2.7
      68.0       3.8
      69.0       2.5
      77.0       1.5
      81.0       3.0
      82.0       1.1
      91.0       1.0
      93.0       1.1
      95.0      49.8
      96.0       3.4
     107.0       1.0
     109.0      10.7
     110.0       1.6
     121.0       5.8
     122.0       3.3
     123.0       1.3
     124.0      15.7
     125.0       1.4
     135.0       3.6
     137.0     100.0
     138.0       9.8
     150.0       1.0
     151.0      14.8
     152.0      40.9
     153.0       7.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₆ N₂	0.041 g : 0.5 ml CDCl₃
3,5-diisopropylpyrazole

    Assign.     Shift(ppm)

      A             5.853
      B             2.940
      C             1.57
      D             1.247

     Hz     ppm     Int.

   2339.23   5.854    163
   1189.45   2.977     28
   1182.37   2.959     68
   1175.54   2.942     92
   1168.58   2.925     72
   1161.62   2.907     31
    625.85   1.566    223
    501.95   1.256   1000
    498.66   1.248     95
    495.00   1.239    973

in CDCl3