Pyrimidinetetramine sulfate(5392-28-9) ¹³C NMR

Product NamePyrimidinetetramine sulfate

CAS 5392-28-9

Molecular FormulaC4H10N6O4S

Molecular Weight238.22

InChIInChI=1S/C4H8N6.H2O4S/c5-1-2(6)9-4(8)10-3(1)7;1-5(2,3)4/h5H2,(H6,6,7,8,9,10);(H2,1,2,3,4)

InChIKey MQEFDQWUCTUJCP-UHFFFAOYSA-N

SmilesNC1=C(N=C(N)N=C1N)N.S(O)(O)(=O)=O

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Mass

MS-NW-7191          
2,4,5,6-tetraaminopyrimidine sulfate
C4H8N6 H2O4S (H2O)  (Mass of molecular ion:    140)

   Source Temperature: 200 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      15.0       1.4
      16.0      27.1
      17.0      39.5
      18.0      42.8
      26.0       2.1
      27.0      13.0
      28.0      25.5
      29.0       4.0
      32.0       4.8
      41.0       2.0
      42.0      11.0
      43.0      49.0
      44.0      20.4
      45.0       2.3
      48.0      36.9
      50.0       1.9
      53.0       6.2
      54.0       4.9
      55.0       4.9
      56.0       5.9
      59.0       1.4
      64.0      73.6
      66.0       3.7
      68.0       7.2
      69.0      11.2
      70.0       9.8
      71.0      13.9
      72.0       1.8
      80.0      23.7
      81.0       2.7
      82.0       1.4
      85.0       1.3
      86.0       5.2
      95.0       1.1
      96.0       7.8
      97.0       2.8
      98.0       3.7
      99.0       1.0
     111.0       3.1
     112.0       6.2
     113.0       3.8
     122.0       1.5
     123.0      13.1
     124.0       1.3
     138.0       3.3
     139.0       3.7
     140.0     100.0
     141.0       7.8
     165.0       1.4
     168.0       1.4

in DMSO-d6