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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>2537-48-6更多圖譜> 氰甲基磷酸二乙酯(2537-48-6)紅外圖譜(IR1)

2537-48-6

氰甲基磷酸二乙酯(2537-48-6)紅外圖譜(IR1)

產(chǎn)品名稱:氰甲基磷酸二乙酯

CAS:2537-48-6

分子式:C6H12NO3P

分子量: 177.14

InChI:InChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3

InChIKey: KWMBADTWRIGGGG-UHFFFAOYSA-N

Smiles:P(CC#N)(=O)(OCC)OCC

  • 圖譜
    Mass

    MS-IW-8371          
    diethyl (cyanomethyl)phosphonate
    C6H12NO3P           (Mass of molecular ion:    177)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.3
          18.0       1.2
          26.0       3.7
          27.0      13.2
          28.0       9.1
          29.0      22.2
          31.0       3.7
          40.0       3.3
          41.0      23.3
          42.0       3.2
          43.0       4.1
          45.0      15.6
          47.0       7.4
          48.0       1.3
          54.0       3.4
          65.0      13.1
          68.0       2.1
          69.0       2.6
          74.0       1.3
          77.0       2.4
          78.0       1.2
          80.0       1.9
          81.0      47.3
          85.0       1.1
          91.0      20.1
          93.0       8.8
          96.0       4.1
          97.0       6.8
         103.0       1.5
         104.0      44.9
         105.0       1.6
         109.0     100.0
         110.0       2.7
         111.0       1.1
         121.0       8.4
         122.0      59.6
         123.0       2.5
         124.0       1.2
         132.0       5.6
         134.0      14.9
         136.0       1.6
         137.0      36.0
         138.0       1.8
         148.0       8.6
         149.0       4.4
         150.0      29.0
         151.0       1.5
         162.0       3.1
         178.0       2.2
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H12 N O3 P 0.04 ml : 0.5 ml CDCl3
    diethyl (cyanomethyl)phosphonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.247 B 2.901 C 1.400 J(P-31,A)=8.7HZ. J(P-31,B)=20.9HZ.

         Hz     ppm     Int.
    

        395.75   4.419     95
        388.63   4.340    320
        387.13   4.323    120
        381.56   4.261    365
        379.94   4.243    341
        374.50   4.182    144
        372.88   4.164    355
        365.88   4.086    124
        270.19   3.017    512
        249.25   2.784    510
        132.44   1.479    519
        125.38   1.400   1000
        120.56   1.347     46
        118.25   1.321    466
        113.56   1.268     32
    

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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