557-61-9

二十八烷醇(557-61-9)红外图谱(IR1)

产品名称:二十八烷醇

CAS:557-61-9

分子式:C28H58O

分子量: 410.76

InChI:InChI=1S/C28H58O/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/h29H,2-28H2,1H3

InChIKey: CNNRPFQICPFDPO-UHFFFAOYSA-N

Smiles:C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC

Mass

MS-NW-7939          
1-octacosanol
C28H58O             (Mass of molecular ion:    410)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.3
      27.0       2.9
      28.0       1.2
      29.0      13.4
      31.0       3.2
      39.0       2.1
      41.0      35.7
      42.0       9.1
      43.0      82.2
      44.0       3.0
      53.0       1.3
      54.0       7.6
      55.0      71.6
      56.0      32.3
      57.0     100.0
      58.0       4.8
      66.0       1.5
      67.0      12.7
      68.0      30.2
      69.0      65.5
      70.0      30.3
      71.0      52.0
      72.0       3.1
      73.0       1.2
      80.0       1.0
      81.0      11.1
      82.0      44.9
      83.0      78.6
      84.0      21.9
      85.0      33.0
      86.0       2.4
      95.0       7.1
      96.0      22.0
      97.0      75.9
      98.0      15.5
      99.0      10.6
     109.0       3.5
     110.0       9.4
     111.0      43.1
     112.0      11.3
     113.0       7.2
     123.0       2.6
     124.0       6.6
     125.0      24.5
     126.0       8.3
     127.0       4.9
     137.0       1.9
     138.0       5.5
     139.0      14.3
     140.0       6.2
     141.0       3.7
     152.0       3.7
     153.0      10.2
     154.0       4.9
     155.0       3.0
     166.0       3.1
     167.0       7.5
     168.0       4.3
     169.0       2.1
     180.0       2.5
     181.0       5.9
     182.0       3.5
     183.0       1.8
     194.0       2.2
     195.0       5.0
     196.0       3.1
     197.0       1.5
     208.0       2.5
     209.0       4.1
     210.0       2.7
     211.0       1.4
     222.0       2.1
     223.0       3.3
     224.0       2.4
     225.0       1.1
     236.0       1.9
     237.0       3.1
     238.0       2.2
     250.0       1.9
     251.0       2.7
     252.0       1.8
     264.0       1.7
     265.0       2.1
     266.0       1.7
     278.0       1.5
     279.0       2.0
     280.0       1.6
     292.0       1.3
     293.0       1.7
     294.0       1.5
     306.0       1.2
     307.0       1.4
     308.0       1.8
     320.0       1.0
     321.0       1.3
     322.0       1.4
     335.0       1.1
     336.0       1.1
     364.0       5.3
     365.0       1.6
     392.0      17.8
     393.0       6.0
     394.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₈ H₅₈ O	0.046 g : 0.5 ml CDCl₃ at 55C
1-octacosanol

    Assign.     Shift(ppm)

      A             3.618
      B             1.45
      C             1.27
      D             0.88

     Hz     ppm     Int.

    123.94   1.384     22
    113.56   1.268   1000
     78.94   0.882     23

in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

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