3937-56-2

1,9-壬二醇(3937-56-2)质谱(MS)

产品名称:1,9-壬二醇

CAS:3937-56-2

分子式:C9H20O2

分子量: 160.25

InChI:InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2

InChIKey: ALVZNPYWJMLXKV-UHFFFAOYSA-N

Smiles:C(O)CCCCCCCCO

Mass

MS-NW-6724          
1,9-nonanediol
C9H20O2             (Mass of molecular ion:    160)

   Source Temperature: 150 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      15.0       2.5
      18.0       1.2
      19.0       2.5
      26.0       1.7
      27.0      30.3
      28.0       9.2
      29.0      35.7
      30.0       1.3
      31.0      78.0
      32.0       1.0
      39.0      25.5
      40.0       5.6
      41.0     100.0
      42.0      31.8
      43.0      33.5
      44.0       9.6
      45.0       8.7
      51.0       1.6
      53.0       9.5
      54.0      41.0
      55.0      85.1
      56.0      24.7
      57.0      20.8
      58.0       3.0
      59.0       1.8
      65.0       1.3
      66.0       6.4
      67.0      60.5
      68.0      59.7
      69.0      32.5
      70.0      12.4
      71.0       8.2
      72.0       2.1
      73.0       3.3
      79.0       2.6
      80.0       1.5
      81.0      40.3
      82.0      53.3
      83.0      16.8
      84.0       7.5
      85.0       7.6
      86.0       1.5
      94.0       1.2
      95.0      23.2
      96.0      28.4
      97.0       3.7
      98.0       1.1
      99.0       4.0
     109.0       2.2
     112.0       3.7
     124.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₂₀ O₂	0.039 g : 0.5 ml CDCl₃
1,9-nonanediol

    Assign.     Shift(ppm)

      A             3.608
      B             2.04
      C             1.55
      D             1.32

     Hz     ppm     Int.

    330.06   3.686    195
    323.81   3.616    582
    317.50   3.546    297
    182.38   2.037    975
    151.19   1.689     25
    150.69   1.683     26
    145.63   1.627     86
    144.13   1.610     80
    138.88   1.551    147
    136.00   1.519    118
    132.00   1.474    158
    118.06   1.319   1000
    108.56   1.213     39
    106.13   1.186     26

in CDCl3