1632-76-4

3-甲基哒嗪(1632-76-4)核磁图(¹³CNMR)

产品名称:3-甲基哒嗪

CAS:1632-76-4

分子式:C5H6N2

分子量: 94.11

InChI:InChI=1S/C5H6N2/c1-5-3-2-4-6-7-5/h2-4H,1H3

InChIKey: MXDRPNGTQDRKQM-UHFFFAOYSA-N

Smiles:C1(C)=NN=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5465          
3-methylpyridazine
C5H6N2              (Mass of molecular ion:     94)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.0
      18.0       1.1
      26.0       6.1
      27.0       4.8
      28.0       3.3
      31.0       4.9
      31.5       1.6
      32.0       2.0
      37.0       4.5
      38.0       9.0
      39.0      42.5
      40.0      40.7
      41.0       3.6
      42.0       2.0
      50.0       2.6
      51.0       8.6
      52.0       4.7
      61.0       1.8
      62.0       2.8
      63.0       4.6
      64.0       2.2
      65.0      39.5
      66.0      28.3
      67.0       2.3
      94.0     100.0
      95.0       6.9

90 MHz in CDCl3

parameter in CDCl3

¹H NMR	89.56 MHz
C₅ H₆ N₂	0.04 ml : 0.5 ml CDCl₃
3-methylpyridazine

    Assign.     Shift(ppm)

      A             9.032
      B             7.39
      C             7.37
      D             2.720

     Hz     ppm     Int.

    812.44   9.072     45
    809.31   9.037     67
    805.88   8.999     50
    671.63   7.500     21
    663.19   7.405    232
    662.06   7.393    181
    659.31   7.362    534
    243.88   2.724   1000
    243.44   2.719    718

¹H NMR	300 MHz
C₅ H₆ N₂	10 wt% in CDCl₃
3-methylpyridazine

    Parameter     ppm  Hz

      D(A)         9.06
      D(B)         7.40
      D(C)         7.38
       J(A,B)          4.7
       J(A,C)          1.8
       J(B,C)          8.6
     
      D(D)         2.74
     
     TORI,K. & OGATA,M. CHEM.PHARM.BULL. 12, 272 (1964)

     Hz     ppm     Int.

   2721.26   9.071     85
   2718.86   9.063     89
   2717.22   9.057     89
   2714.81   9.049     87
   2228.62   7.429     21
   2224.52   7.415     12
   2220.00   7.400    153
   2217.24   7.391    166
   2215.95   7.386    185
   2214.90   7.383    177
   2208.68   7.362     22
   2206.27   7.354     11
    822.02   2.740   1000

in CDCl3