20980-22-7

1-(2-嘧啶基)哌嗪(20980-22-7)核磁图(¹³CNMR)

产品名称:1-(2-嘧啶基)哌嗪

CAS:20980-22-7

分子式:C8H12N4

分子量: 164.21

InChI:InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2

InChIKey: MRBFGEHILMYPTF-UHFFFAOYSA-N

Smiles:C1(N2CCNCC2)=NC=CC=N1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3591          
1-(2-pyrimidinyl)piperazine
C8H12N4             (Mass of molecular ion:    164)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.0
      26.0       1.3
      27.0       2.8
      28.0      10.6
      29.0       5.7
      30.0       5.3
      39.0       1.1
      40.0       1.6
      41.0       2.8
      42.0       7.0
      43.0       1.9
      52.0       3.2
      53.0       9.9
      54.0       4.6
      55.0       3.2
      56.0      13.7
      57.0       6.5
      66.0       1.1
      67.0       1.4
      67.5       1.2
      68.0       2.8
      69.0      15.6
      70.0       1.3
      79.0       9.7
      80.0      22.8
      81.0       9.6
      82.0       1.4
      85.0       1.0
      93.0       1.0
      94.0       2.8
      95.0       3.8
      96.0      49.5
      97.0       2.8
     106.0       1.1
     107.0       1.1
     108.0      36.9
     109.0      21.7
     110.0       2.5
     120.0       7.2
     121.0       8.7
     122.0     100.0
     123.0       7.8
     134.0      10.3
     135.0       2.1
     136.0       1.4
     163.0       1.5
     164.0      28.0
     165.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₂ N₄	0.05 ml : 0.5 ml CDCl₃
1-(2-pyrimidinyl)piperazine

    Assign.     Shift(ppm)

      A             8.291
      B             6.451
      C             3.782
      D             2.901
      E             2.15

     Hz     ppm     Int.

   3321.78   8.312     21
   3316.04   8.298    964
   3311.40   8.286   1000
   3307.50   8.276     26
   2583.01   6.464    326
   2578.25   6.452    596
   2573.61   6.440    324
   1517.09   3.797    714
   1511.96   3.784    759
   1506.84   3.771    812
   1164.79   2.915    716
   1159.67   2.902    743
   1154.54   2.889    754
    858.03   2.147    374

in CDCl3