三苯基胍(101-01-9)質(zhì)譜(MS)

產(chǎn)品名稱:三苯基胍

CAS:101-01-9

分子式:C19H17N3

分子量: 287.36

InChI:InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)

InChIKey: FUPAJKKAHDLPAZ-UHFFFAOYSA-N

Smiles:N(C1=CC=CC=C1)/C(=N\C1=CC=CC=C1)/NC1=CC=CC=C1

Mass

MS-IW-2152          
1,2,3-triphenylguanidine
C19H17N3            (Mass of molecular ion:    287)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      28.0       1.0
      38.0       1.5
      39.0       4.5
      40.0       1.0
      41.0       1.2
      46.5       1.4
      50.0       2.7
      51.0      11.2
      52.0       2.0
      63.0       3.1
      64.0       4.3
      65.0       7.8
      66.0      10.6
      67.0       1.2
      76.0       2.8
      77.0      23.6
      78.0       2.1
      90.0       1.3
      91.0      13.5
      92.0       7.2
      93.0      40.8
      94.0       2.9
      97.0       2.8
     103.0       3.4
     104.0       2.8
     118.0       2.9
     119.0       1.2
     166.0       1.2
     167.0       1.4
     168.0       1.1
     193.0       4.8
     194.0     100.0
     195.0      19.5
     196.0       1.7
     286.0       2.0
     287.0       6.0
     288.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₉ H₁₇ N₃	0.031 g : 0.5 ml CDCl₃
1,2,3-triphenylguanidine

    Assign.     Shift(ppm)

      A             7.29
      B             7.19
      C             7.03
      D             5.93

     Hz     ppm     Int.

   2941.89   7.362     21
   2941.53   7.361     21
   2941.16   7.360     21
   2940.06   7.357     23
   2939.09   7.355     23
   2938.72   7.354     24
   2935.30   7.345     30
   2920.17   7.307    463
   2912.23   7.287   1000
   2904.79   7.269    741
   2892.21   7.237    189
   2873.78   7.191    382
   2810.30   7.032    291
   2779.66   6.956     21
   2365.36   5.919     62

in CDCl3