57-11-4

硬脂酸(57-11-4)Raman光谱

产品名称:硬脂酸

CAS:57-11-4

分子式:C18H36O2

分子量: 284.48

InChI:InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

InChIKey: QIQXTHQIDYTFRH-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCCCCCCCCCCCCC

Mass

MS-NW-6829          
stearic acid
C18H36O2            (Mass of molecular ion:    284)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       2.8
      18.0       9.9
      27.0      16.7
      28.0       5.5
      29.0      39.1
      30.0       1.4
      31.0       1.4
      39.0      12.6
      40.0       2.9
      41.0      81.0
      42.0      17.4
      43.0     100.0
      44.0       3.2
      45.0       6.4
      51.0       1.1
      53.0       5.0
      54.0       7.3
      55.0      73.8
      56.0      19.5
      57.0      75.3
      58.0       3.5
      59.0       3.9
      60.0      67.6
      61.0      20.8
      62.0       1.1
      65.0       1.3
      66.0       1.0
      67.0      10.5
      68.0       8.6
      69.0      42.8
      70.0      14.1
      71.0      38.1
      72.0       2.1
      73.0      71.5
      74.0       7.5
      75.0       1.1
      77.0       1.6
      79.0       3.1
      80.0       2.2
      81.0       8.6
      82.0       7.8
      83.0      28.1
      84.0      13.3
      85.0      23.7
      86.0       2.0
      87.0      15.2
      88.0       1.5
      91.0       1.6
      93.0       2.1
      94.0       1.4
      95.0       5.1
      96.0       6.4
      97.0      21.9
      98.0      30.8
      99.0       9.7
     100.0       1.4
     101.0       7.1
     102.0       3.0
     107.0       1.6
     108.0       1.1
     109.0       2.4
     110.0       3.5
     111.0      12.1
     112.0       8.5
     113.0       5.7
     115.0      11.3
     116.0       7.1
     121.0       2.6
     123.0       1.4
     124.0       2.2
     125.0       6.2
     126.0       2.5
     127.0       3.8
     129.0      37.0
     130.0       4.8
     135.0       1.4
     138.0       1.4
     139.0       3.1
     140.0       1.6
     141.0       3.6
     143.0       6.6
     144.0       1.3
     149.0       1.0
     152.0       1.1
     153.0       1.9
     154.0       1.6
     155.0       2.6
     157.0       3.1
     158.0       1.1
     167.0       1.2
     168.0       1.0
     169.0       1.7
     171.0       6.9
     172.0       2.4
     180.0       1.0
     183.0       1.2
     185.0      17.0
     186.0       2.9
     196.0       1.3
     199.0       5.1
     200.0       1.0
     213.0       2.1
     222.0       2.0
     224.0       2.8
     225.0       2.1
     227.0       3.6
     241.0      13.6
     242.0       2.8
     248.0       1.0
     255.0       2.7
     256.0       2.0
     284.0      77.3
     285.0      15.7
     286.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₈ H₃₆ O₂	0.042 g : 0.5 ml CDCl₃
stearic acid

    Assign.     Shift(ppm)

      A            11.
      B             2.35
      C             1.64
      D             1.26
      E             0.88

     Hz     ppm     Int.

    210.38   2.350     30
    202.94   2.266     22
    112.79   1.260   1000
     83.57   0.934     25
     78.78   0.880     55

in CDCl3

CCl4 solution

KBr disc

nujol mull

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