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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