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

¹³CNMR

IR1

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