593-50-0

三十烷醇(593-50-0)紅外圖譜(IR1)

分子式:C30H62O

分子量: 438.81

InChI:InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3

InChIKey: REZQBEBOWJAQKS-UHFFFAOYSA-N

Smiles:C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Mass

MS-NW-7071          
1-triacontanol
C30H62O             (Mass of molecular ion:    438)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       1.1
      27.0       4.2
      28.0       1.2
      29.0      14.1
      31.0       4.6
      39.0       3.1
      41.0      41.2
      42.0      11.3
      43.0      87.7
      44.0       3.1
      45.0       1.0
      53.0       1.8
      54.0       7.4
      55.0      70.7
      56.0      31.4
      57.0     100.0
      58.0       4.6
      66.0       1.4
      67.0      13.2
      68.0      27.4
      69.0      64.4
      70.0      30.1
      71.0      53.6
      72.0       3.2
      73.0       1.4
      80.0       1.2
      81.0      11.0
      82.0      42.5
      83.0      77.9
      84.0      21.7
      85.0      33.3
      86.0       2.5
      95.0       7.9
      96.0      23.3
      97.0      79.0
      98.0      15.6
      99.0      12.1
     109.0       4.2
     110.0       9.1
     111.0      43.9
     112.0      11.9
     113.0       8.0
     123.0       2.9
     124.0       7.0
     125.0      26.8
     126.0       9.1
     127.0       5.8
     137.0       2.3
     138.0       5.5
     139.0      15.8
     140.0       6.7
     141.0       4.6
     152.0       4.1
     153.0      11.1
     154.0       5.4
     155.0       3.5
     166.0       2.9
     167.0       8.2
     168.0       4.5
     169.0       2.8
     180.0       2.6
     181.0       6.2
     182.0       4.0
     183.0       2.3
     194.0       2.5
     195.0       5.2
     196.0       3.2
     197.0       1.7
     208.0       2.2
     209.0       4.1
     210.0       2.8
     211.0       1.5
     222.0       2.1
     223.0       3.4
     224.0       2.3
     225.0       1.3
     236.0       1.8
     237.0       2.7
     238.0       2.1
     239.0       1.0
     250.0       1.6
     251.0       2.2
     252.0       1.8
     264.0       1.6
     265.0       2.0
     266.0       1.4
     278.0       1.3
     279.0       1.8
     280.0       1.5
     292.0       1.4
     293.0       1.4
     294.0       1.4
     306.0       1.1
     307.0       1.3
     308.0       1.5
     320.0       1.0
     321.0       1.1
     322.0       1.4
     335.0       1.1
     336.0       1.4
     349.0       1.0
     350.0       1.0
     392.0       4.0
     393.0       1.2
     418.0       1.1
     420.0       8.4
     421.0       2.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃₀ H₆₂ O	0.037 g : 0.5 ml CDCl₃
1-triacontanol

    Assign.     Shift(ppm)

      A             3.65
      B             1.56
      C             1.26
      D             1.11
      E             0.88

     Hz     ppm     Int.

    123.50   1.379     45
    123.00   1.374     46
    122.69   1.370     49
    121.94   1.362     55
    121.44   1.356     56
    112.56   1.257   1000
    104.25   1.165     70
    103.38   1.155     63
    102.81   1.148     61
    102.50   1.145     62
    102.13   1.141     56
    101.63   1.135     55
    101.13   1.130     55
    100.81   1.126     55
    100.00   1.117     57
     99.00   1.106     64
     98.63   1.102     63

in CDCl3