13CNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 13CNMR)" />

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96-31-1

1,3-二甲基脲(96-31-1)核磁圖(13CNMR)

產(chǎn)品名稱:1,3-二甲基脲

CAS:96-31-1

分子式:C3H8N2O

分子量: 88.11

InChI:InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-4955          
1,3-dimethylurea
C3H8N2O             (Mass of molecular ion:     88)


       Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          14.0       1.0
      15.0      22.5
      18.0       4.1
      26.0       1.0
      27.0       9.2
      28.0      37.9
      29.0       9.5
      30.0     100.0
      31.0      42.5
      32.0       2.0
      41.0       1.0
      42.0       3.7
      43.0       3.2
      44.0       5.4
      55.0       1.8
      56.0       9.3
      57.0      22.8
      58.0      44.5
      59.0       3.3
      69.0       2.5
      70.0       3.1
      88.0      49.5
      89.0       2.3

parameter in DMSO-d6

  • 圖譜

    1H NMR 300 MHz
    C3 H8 N2 O in DMSO-d6
    N,N'-dimethylurea
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         5.69
     
      D(B)         2.54
     
     STILBS,P. & FORSEN,S. ORG.MAGN.RESON. 8, 384 (1976)
     J(1)(A,N-15):88.7HZ. J(3)(A,B):4.7HZ. J(2)(N-15,N-15):5.3HZ.
     J(2)(B,N-15):0.7HZ.
  

         Hz     ppm     Int.


       1707.01   5.690    333
    762.01   2.540   1000

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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