598-12-9

硫酸甲酯胍(2:1)(598-12-9)核磁图(¹³CNMR)

产品名称:硫酸甲酯胍(2:1)

CAS:598-12-9

分子式:C4H16N6O4S

分子量: 244.27

InChI:InChI=1S/2C2H7N3.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H4,3,4,5);(H2,1,2,3,4)

InChIKey: WTYJBGQERCCGAD-UHFFFAOYSA-N

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

Mass

MS-IW-3880          
1-methylguanidine sulfate
C2H7N3 1/2H2O4S     (Mass of molecular ion:     73)

   Source Temperature: 180 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      12.0       1.7
      13.0       2.2
      14.0       2.1
      15.0      13.4
      16.0      50.6
      17.0      60.5
      18.0      19.5
      22.0       1.8
      26.0       2.7
      27.0      15.3
      28.0      79.7
      29.0      24.1
      30.0      95.1
      31.0      81.9
      32.0       2.6
      41.0       5.6
      42.0      47.5
      43.0      62.9
      44.0     100.0
      45.0       3.1
      48.0       4.4
      53.0       1.5
      55.0      11.0
      56.0      10.7
      57.0      13.6
      58.0       1.6
      60.0       2.8
      64.0       8.6
      68.0       1.1
      69.0       2.6
      72.0      11.5
      73.0      36.4
      74.0       5.7
      80.0       2.9
      83.0       1.3
      84.0       1.0
      94.0       1.2
      98.0       1.6
      99.0       1.0
     111.0       1.1
     112.0       1.7
     126.0       1.2
     140.0       1.0
     141.0       5.0
     155.0       2.6

parameter in D2O

¹H NMR	300 MHz
C₂ H₇ N₃	0.028 g : 0.5 ml D₂O
1-methylguanidine sulfate

    Parameter     ppm  Hz

      D(A)         2.831

     Hz     ppm     Int.

    849.30   2.831   1000

in D2O

KBr disc

nujol mull

TOKYO CHEMICAL INDUSTRY CO., LTD.

TCI Europe

九鼎化学（上海）科技有限公司

硫酸甲酯胍(2:1)(598-12-9)核磁图(13CNMR)

硫酸甲酯胍(2:1)(598-12-9)核磁图(¹³CNMR)