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

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1530-89-8

4-嗎琳甲腈(1530-89-8)核磁圖(13CNMR)

產(chǎn)品名稱:4-嗎琳甲腈

CAS:1530-89-8

分子式:C5H8N2O

分子量: 112.13

InChI:InChI=1S/C5H8N2O/c6-5-7-1-3-8-4-2-7/h1-4H2

InChIKey: BOQOXLAQTDFJKU-UHFFFAOYSA-N

Smiles:N1(C#N)CCOCC1

  • 圖譜
    Mass 

    MS-NW-8330          
4-morpholinecarbonitrile
C5H8N2O             (Mass of molecular ion:    112)


       Source Temperature: 250 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV


          15.0       5.0
      26.0       3.2
      27.0       9.1
      28.0      42.0
      29.0       7.5
      30.0       2.8
      31.0       2.0
      40.0       2.4
      41.0       5.2
      42.0     100.0
      43.0       5.7
      44.0       2.9
      53.0       7.6
      54.0      21.5
      55.0      47.6
      56.0       4.4
      57.0       8.5
      58.0       1.2
      67.0       4.7
      72.0       1.2
      81.0       2.1
      82.0       3.8
     111.0       2.3
     112.0      40.7
     113.0       2.8

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C5 H8 N2 O 0.05 ml : 0.5 ml CDCl3
    4-morpholinecarbonitrile
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.733
      B             3.247
  

         Hz     ppm     Int.


       1510.25   3.779     26
   1505.37   3.767     45
   1497.19   3.747    942
   1492.31   3.735    890
   1490.48   3.730    508
   1487.43   3.722    933
   1315.55   3.292     25
   1310.67   3.280     43
   1302.49   3.260   1000
   1299.07   3.251    540
   1297.49   3.247    918
   1296.02   3.243    554
   1292.60   3.235    882
   1284.67   3.215     33

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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