77297-00-8

1,1-二乙基胍硫酸盐(77297-00-8)质谱(MS)

产品名称:1,1-二乙基胍硫酸盐

CAS:77297-00-8

分子式:C10H28N6O4S

分子量: 328.43

InChI:InChI=1S/2C5H13N3.H2O4S/c2*1-3-8(4-2)5(6)7;1-5(2,3)4/h2*3-4H2,1-2H3,(H3,6,7);(H2,1,2,3,4)

InChIKey: VZAFCEFGYOMBML-UHFFFAOYSA-N

Smiles:S(=O)(=O)(O)O.N(C(=N)N)(CC)CC.N(CC)(CC)C(=N)N

Mass

MS-IW-1765          
1,1-diethylguanidine sulfate
C5H13N3 1/2H2O4S    (Mass of molecular ion:    115)

   Source Temperature: 190 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      15.0       3.4
      16.0       3.8
      17.0       4.7
      18.0       7.2
      26.0       2.8
      27.0      14.9
      28.0      17.7
      29.0      16.3
      30.0      69.4
      31.0       1.9
      40.0       2.1
      41.0       5.8
      42.0      30.5
      43.0      42.3
      44.0      94.5
      45.0       3.5
      54.0       1.0
      55.0      10.3
      56.0       9.1
      57.0       2.9
      58.0     100.0
      59.0       5.0
      60.0       2.7
      64.0       1.0
      69.0       4.1
      70.0       2.6
      71.0       3.8
      72.0      73.7
      73.0      31.2
      74.0       1.7
      83.0       3.6
      86.0      51.3
      87.0       8.4
      98.0       3.8
     115.0      39.1
     116.0       3.1

400 MHz in D2O

¹H NMR	399.65 MHz
C₅ H₁₃ N₃	0.041 g : 0.5 ml D₂O
1,1-diethylguanidine sulfate

    Assign.     Shift(ppm)

      A             3.382
      B             1.210
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   1362.43   3.410    138
   1355.22   3.392    445
   1348.02   3.374    447
   1340.82   3.355    143
    490.97   1.229    487
    483.76   1.211   1000
    476.44   1.193    461
    472.17   1.182     22

in D2O