30964-01-3

8-壬炔酸(30964-01-3)红外图谱(IR1)

产品名称:8-壬炔酸

CAS:30964-01-3

分子式:C9H14O2

分子量: 154.21

InChI:InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h1H,3-8H2,(H,10,11)

InChIKey: NLRIJHGYFNZMGB-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCCC#C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9260          
8-nonynoic acid
C9H14O2             (Mass of molecular ion:    154)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       3.3
      26.0       1.9
      27.0      29.3
      28.0      11.4
      29.0      19.8
      31.0       3.6
      38.0       3.1
      39.0      43.8
      40.0      11.9
      41.0      85.6
      42.0      13.9
      43.0      29.3
      44.0       2.4
      45.0      23.5
      50.0       3.6
      51.0       8.1
      52.0       5.3
      53.0      27.8
      54.0      82.6
      55.0     100.0
      56.0       7.5
      57.0       6.4
      58.0       3.0
      59.0       6.1
      60.0      65.2
      61.0       4.1
      63.0       1.9
      65.0       9.5
      66.0       6.5
      67.0      61.2
      68.0      26.6
      69.0      50.1
      70.0      10.0
      71.0      23.8
      72.0       2.1
      73.0      31.7
      74.0       3.4
      77.0      10.9
      78.0       4.2
      79.0      73.4
      80.0      13.7
      81.0      64.6
      82.0       9.7
      83.0       5.6
      84.0       6.0
      85.0       2.3
      86.0       1.8
      87.0       2.9
      91.0      11.7
      92.0       5.5
      93.0      25.2
      94.0      93.7
      95.0      55.8
      96.0      10.0
      97.0      18.5
      98.0       2.8
      99.0       4.4
     100.0       3.9
     104.0       1.1
     105.0       1.2
     107.0       3.2
     108.0       7.4
     109.0       8.4
     110.0       1.4
     111.0       5.1
     112.0       3.6
     113.0       4.3
     114.0      13.8
     115.0       5.0
     117.0       1.1
     118.0       1.0
     121.0       7.3
     125.0       1.4
     126.0       1.6
     135.0       1.2
     139.0       1.0
     259.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
8-nonynoic acid

    Assign.     Shift(ppm)

      A            10.5
      B             2.360
      C             2.186
      D             1.953
      E             1.649
      F             1.534
      G             1.40

     Hz     ppm     Int.

    950.93   2.380    572
    943.45   2.361   1000
    935.97   2.342    620
    882.11   2.208    336
    879.67   2.202    395
    875.40   2.191    660
    872.80   2.184    710
    868.23   2.173    415
    865.63   2.166    416
    783.23   1.960    432
    780.64   1.954    756
    778.05   1.947    429
    673.98   1.687    183
    666.50   1.668    436
    659.18   1.650    576
    651.70   1.631    441
    644.23   1.612    186
    627.59   1.571    134
    620.73   1.554    328
    613.86   1.536    511
    606.84   1.519    468
    599.82   1.501    218
    592.65   1.483     78
    592.19   1.482     78

in CDCl3