10581-38-1

2,2,6,6-四甲基-4-哌啶酮一水合物(10581-38-1)质谱(MS)

产品名称:2,2,6,6-四甲基-4-哌啶酮一水合物

CAS:10581-38-1

分子式:C9H19NO2

分子量: 173.25

InChI:InChI=1S/C9H17NO.H2O/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H2

InChIKey: SFDODBGIDPNFEH-UHFFFAOYSA-N

Smiles:N1C(C)(C)CC(=O)CC1(C)C.O

Mass

MS-IW-1567          
2,2,6,6-tetramethyl-4-piperidone
C9H17NO H2O         (Mass of molecular ion:    155)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       3.5
      27.0       6.1
      28.0       5.7
      29.0       9.0
      30.0       2.6
      39.0      10.8
      40.0       2.6
      41.0      18.2
      42.0      70.9
      43.0      29.4
      44.0       1.1
      51.0       1.1
      53.0       3.8
      54.0       2.0
      55.0      32.8
      56.0      15.0
      57.0       9.8
      58.0      75.7
      59.0       2.9
      67.0       1.2
      70.0       2.9
      71.0       2.1
      79.0       2.0
      80.0       1.1
      81.0       2.7
      82.0       2.9
      83.0     100.0
      84.0      32.5
      85.0       1.6
      94.0       1.1
      95.0       1.6
      96.0       2.0
      97.0       1.6
      98.0      26.9
      99.0       3.5
     112.0       7.2
     122.0       6.7
     123.0       3.3
     124.0       1.5
     136.0       1.4
     137.0       3.8
     140.0      84.7
     141.0       8.0
     155.0       5.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₇ N O	0.039 g : 0.5 ml CDCl₃
2,2,6,6-tetramethyl-4-piperidone

    Assign.     Shift(ppm)

      A             4.80
      B             2.277
      C             1.248

     Hz     ppm     Int.

   1917.85   4.799     40
    910.28   2.278    500
    498.05   1.247   1000

in CDCl3

KBr disc

nujol mull