ChemicalBook
English   Japanese   Germany   Korea

623-76-7

1,3-二乙基脲(623-76-7)质谱(MS)

产品名称:1,3-二乙基脲

CAS:623-76-7

分子式:C5H12N2O

分子量: 116.16

InChI:InChI=1S/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)

InChIKey: ZWAVGZYKJNOTPX-UHFFFAOYSA-N

Smiles:N(CC)C(NCC)=O

  • 图谱
    Mass

    MS-NW-0205          
    1,3-diethylurea
    C5H12N2O            (Mass of molecular ion:    116)
    

       Source Temperature: 160 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          15.0       3.0
          18.0       4.9
          27.0      10.4
          28.0       8.6
          29.0      18.7
          30.0     100.0
          31.0       1.3
          40.0       1.1
          41.0       1.8
          42.0       6.4
          43.0       4.0
          44.0      51.8
          45.0       4.0
          46.0       2.3
          56.0       1.3
          58.0       1.0
          60.0       2.2
          72.0       6.4
          73.0       4.0
          88.0       1.6
         101.0       3.6
         116.0      45.8
         117.0       6.8
    

parameter in D2O

  • 图谱

    1H NMR 300 MHz
    C5 H12 N2 O 0.043 g : 0.5 ml D2O
    1,3-diethylurea
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.105 D(B) 1.085 J(A,B) 7.3

         Hz     ppm     Int.
    

        942.52   3.142    160
        935.22   3.117    489
        927.92   3.093    503
        920.64   3.069    173
        332.77   1.109    510
        325.46   1.085   1000
        318.16   1.061    486
    

in DMSO-d6

in D2O

  • 图谱

  • 图谱

CCl4 solution

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

  • 图谱

×