821-55-6

2-壬酮(821-55-6)红外图谱(IR1)

产品名称:2-壬酮

CAS:821-55-6

分子式:C9H18O

分子量: 142.24

InChI:InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3

InChIKey: VKCYHJWLYTUGCC-UHFFFAOYSA-N

Smiles:CC(=O)CCCCCCC

Mass

MS-NW-4043          
2-nonanone
C9H18O              (Mass of molecular ion:    142)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.7
      27.0       7.8
      28.0       1.6
      29.0       9.2
      39.0       5.5
      40.0       1.0
      41.0      14.9
      42.0       3.7
      43.0      73.2
      44.0       1.9
      45.0       1.0
      53.0       1.2
      55.0       6.3
      56.0       3.4
      57.0      21.8
      58.0     100.0
      59.0      21.2
      67.0       1.5
      69.0       1.8
      71.0      21.8
      72.0       1.6
      82.0       3.2
      83.0       1.0
      84.0       3.8
      85.0       3.8
      99.0       1.7
     100.0       1.4
     113.0       1.2
     127.0       2.5
     142.0       5.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₈ O	0.04 ml : 0.5 ml CDCl₃
2-nonanone

    Assign.     Shift(ppm)

      A             2.40
      B             2.13
      C             1.57
      D             1.27
      E             0.88

     Hz     ppm     Int.

    223.56   2.497     53
    216.75   2.421    125
    209.38   2.338    104
    190.44   2.127   1000
    147.75   1.650     30
    140.44   1.569     42
    140.13   1.565     42
    137.75   1.539     33
    137.38   1.534     32
    136.38   1.523     31
    135.44   1.513     32
    134.94   1.507     32
    133.88   1.495     32
    132.81   1.483     35
    126.88   1.417     41
    113.75   1.271    434
     83.94   0.938     70
     81.44   0.910     58
     78.69   0.879    237
     72.56   0.811     52

in CDCl3