62708-52-5

肌酸酰胺氯化锌(62708-52-5)核磁图(¹HNMR)

产品名称:肌酸酰胺氯化锌

CAS:62708-52-5

分子式:C8H14Cl2N6O2Zn

分子量: 362.53

InChI:InChI=1S/C4H7N3O.2ClH.Zn/c1-7-2-3(8)6-4(7)5;;;/h2H2,1H3,(H2,5,6,8);2*1H;/q;;;+2/p-2

InChIKey: FSTJUYRQYIWLSX-UHFFFAOYSA-L

Smiles:[Zn+2].N1C(=O)CN(C)C1=N.[Cl-].[Cl-]

¹HNMR

IR1

IR2

Mass

MS-NW-9234          
creatinine zinc chloride
C4H7N3O 1/2Cl2Zn    (Mass of molecular ion:    113)

   Source Temperature: 230 °C
   Sample Temperature: 280 °C
   Direct, 75 eV

      14.0       2.4
      15.0      12.9
      16.0       5.8
      17.0      21.3
      18.0      85.4
      26.0       1.0
      27.0       7.9
      28.0      22.9
      29.0       3.2
      30.0      27.3
      31.0       4.9
      32.0       1.0
      35.0       6.9
      36.0      77.0
      37.0       2.3
      38.0      25.0
      39.0       1.6
      40.0       5.0
      41.0      12.7
      42.0      95.5
      43.0     100.0
      44.0      33.6
      45.0       1.4
      53.0       1.7
      55.0       4.5
      56.0       5.8
      57.0       3.3
      58.0       3.7
      68.0       1.0
      69.0      10.1
      70.0       4.2
      71.0       2.3
      72.0       3.9
      73.0       2.1
      84.0      40.0
      85.0       8.6
      86.0       1.6
      98.0       2.5
     112.0      52.5
     113.0      73.3
     114.0       6.9
     134.0       1.2
     136.0       1.4
     138.0       1.0

parameter in CDCl3

¹H NMR	300 MHz
C₄ H₇ N₃ O	0.035 g : 0.5 ml DMSO-d₆
creatinine zinc chloride

    Parameter     ppm  Hz

      D(A)         7.88
     
      D(B)         7.88
     
      D(C)         3.887
     
      D(D)         2.981

     Hz     ppm     Int.

   2363.99   7.880     64
   1166.08   3.887    667
    894.30   2.981   1000

KBr disc

nujol mull

肌酸酰胺氯化锌(62708-52-5)核磁图(1HNMR)

肌酸酰胺氯化锌(62708-52-5)核磁图(¹HNMR)