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931-97-5

环己酮氰醇(931-97-5)核磁图(13CNMR)

产品名称:环己酮氰醇

CAS:931-97-5

分子式:C7H11NO

分子量: 125.17

InChI:InChI=1S/C7H11NO/c8-6-7(9)4-2-1-3-5-7/h9H,1-5H2

InChIKey: ZDBRPNZOTCHLSP-UHFFFAOYSA-N

Smiles:C1(O)(C#N)CCCCC1

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    Mass

    MS-IW-2424          
    1-hydroxycyclohexanecarbonitrile
    C7H11NO             (Mass of molecular ion:    125)
    

       Source Temperature: 190 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       1.4
          26.0       3.8
          27.0      28.4
          28.0      13.9
          29.0       8.5
          31.0       1.3
          38.0       2.0
          39.0      19.9
          40.0       5.7
          41.0      61.7
          42.0      32.3
          43.0      18.1
          44.0       1.7
          50.0       1.6
          51.0       2.9
          52.0       3.0
          53.0       6.0
          54.0      33.6
          55.0      58.2
          56.0     100.0
          57.0       7.9
          65.0       1.7
          66.0       2.2
          67.0       5.1
          68.0       7.0
          69.0      34.6
          70.0      36.5
          71.0       2.5
          77.0       1.8
          79.0       4.5
          80.0       9.6
          81.0       3.8
          82.0      15.9
          83.0      30.3
          84.0       5.3
          92.0       2.4
          96.0      66.0
          97.0      11.2
          98.0      27.7
          99.0       3.2
         106.0       2.7
         107.0       1.5
         108.0       1.3
         110.0      10.0
         124.0       2.7
         125.0       1.0
    

in CDCl3

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liquid film

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