97-39-2

二邻甲苯胍(97-39-2)红外图谱(IR2)

产品名称:二邻甲苯胍

CAS:97-39-2

分子式:C15H17N3

分子量: 239.32

InChI:InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)

InChIKey: OPNUROKCUBTKLF-UHFFFAOYSA-N

Smiles:N(C1=CC=CC=C1C)C(=N)NC1=CC=CC=C1C

Mass

MS-NW-0468          
1,3-di(o-tolyl)guanidine
C15H17N3            (Mass of molecular ion:    239)

   Source Temperature: 230 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.2
      28.0       1.3
      39.0       2.0
      41.0       1.1
      43.0       1.9
      51.0       1.2
      55.0       1.3
      57.0       2.3
      65.0       6.0
      66.0       1.3
      69.0       1.7
      70.0       1.0
      71.0       1.4
      77.0       3.2
      78.0       1.7
      79.0       2.6
      81.0       1.3
      83.0       1.6
      85.0       1.5
      89.0       1.8
      90.0       1.4
      91.0       7.6
      92.0       1.3
      95.0       1.0
      97.0       1.7
     104.0       2.9
     105.0       1.1
     106.0      18.9
     107.0     100.0
     108.0       7.4
     116.0       4.1
     117.0       1.1
     118.0       1.0
     118.5       2.0
     127.0       1.0
     131.0       3.7
     132.0       4.8
     133.0      11.8
     134.0       1.0
     222.0       1.5
     224.0       7.5
     225.0       1.3
     238.0       4.7
     239.0      47.2
     240.0       8.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₁₇ N₃	0.039 g : 0.5 ml DMSO-d₆
1,3-di(o-tolyl)guanidine

    Assign.     Shift(ppm)

      A             7.5
      B             7.12
      C             7.065
      D             6.826
      E             5.09
      F             2.185

     Hz     ppm     Int.

   2847.78   7.126    200
   2840.33   7.108    219
   2831.67   7.086    107
   2830.93   7.084    106
   2830.57   7.083    106
   2823.85   7.066    190
   2816.41   7.048    106
   2735.47   6.845    127
   2734.62   6.843    126
   2728.03   6.827    205
   2727.17   6.824    209
   2720.70   6.808     92
   2719.73   6.806     97
   2036.50   5.096     52
    873.54   2.186   1000

in DMSO-d6

in CDCl3