112-79-8

反油酸(112-79-8)Raman光譜

產(chǎn)品名稱:反油酸

CAS:112-79-8

分子式:C18H34O2

分子量: 282.46

InChI:InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+

InChIKey: ZQPPMHVWECSIRJ-MDZDMXLPSA-N

Smiles:C(O)(=O)CCCCCCC/C=C/CCCCCCCC

Mass

MS-NW-0268          
elaidic acid
C18H34O2            (Mass of molecular ion:    282)

   Source Temperature: 180 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       1.9
      27.0      11.2
      28.0       2.7
      29.0      24.3
      31.0       1.0
      39.0      10.3
      40.0       2.1
      41.0      69.8
      42.0      11.8
      43.0      51.3
      44.0       1.8
      45.0       5.5
      53.0       7.5
      54.0      26.4
      55.0     100.0
      56.0      36.3
      57.0      42.0
      58.0       1.9
      59.0       2.9
      60.0      14.2
      61.0       2.7
      65.0       2.0
      66.0       2.0
      67.0      30.8
      68.0      25.3
      69.0      83.4
      70.0      38.5
      71.0      18.5
      72.0       1.0
      73.0      19.4
      74.0       1.8
      77.0       1.9
      79.0       5.5
      80.0       3.9
      81.0      29.5
      82.0      26.0
      83.0      68.9
      84.0      31.5
      85.0      10.8
      87.0       6.9
      91.0       2.0
      91.5       1.0
      93.0       3.1
      94.0       4.4
      95.0      18.7
      96.0      22.4
      97.0      50.5
      98.0      29.2
      99.0       4.5
     100.0       6.8
     101.0      10.4
     102.0       1.5
     105.0       1.2
     107.0       2.7
     108.0       3.6
     109.0      10.5
     110.0      16.8
     111.0      24.8
     112.0      13.8
     113.0       3.9
     114.0      14.7
     115.0       7.0
     116.0       1.8
     119.0       2.7
     120.0       1.1
     121.0       3.4
     122.0       2.4
     123.0      11.3
     124.0      11.1
     125.0      13.4
     126.0       8.6
     127.0       8.7
     128.0       3.3
     129.0       6.7
     130.0       1.2
     133.0       3.0
     134.0       3.1
     135.0       3.1
     136.0       1.8
     137.0       8.5
     138.0       9.3
     139.0       8.3
     140.0       6.0
     141.0       2.5
     142.0       1.3
     143.0       2.8
     147.0       3.1
     148.0       2.6
     149.0       2.1
     150.0       1.4
     151.0       7.3
     152.0       6.8
     153.0       5.6
     154.0       3.8
     155.0       2.0
     156.0       1.1
     157.0       2.2
     161.0       1.9
     162.0       1.2
     163.0       1.3
     164.0       1.3
     165.0       5.8
     166.0       5.1
     167.0       3.8
     168.0       2.1
     169.0       2.6
     171.0       1.8
     175.0       1.4
     179.0       4.1
     180.0       7.7
     181.0       3.3
     182.0       1.5
     183.0       1.5
     185.0       2.4
     186.0       1.5
     193.0       3.3
     194.0       3.2
     195.0       1.7
     199.0       1.6
     202.0       1.7
     207.0       2.9
     208.0       2.7
     209.0       1.2
     210.0       1.0
     213.0       1.3
     220.0       9.6
     221.0       4.8
     222.0      10.7
     223.0       2.6
     235.0       2.7
     236.0       3.0
     239.0       1.1
     241.0       1.0
     246.0       3.4
     247.0       1.0
     256.0       2.7
     264.0      53.7
     265.0      11.8
     266.0       1.3
     282.0      22.0
     283.0       4.5
     284.0       5.4
     285.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₈ H₃₄ O₂	0.045 g : 0.5 ml CDCl₃
elaidic acid

    Assign.     Shift(ppm)

      A            11.14
      B             5.38
      C             2.331
      D             1.97
      E             1.63
      F          1.47 to 1.15
      G             0.88

     Hz     ppm     Int.

    486.98   5.438     33
    485.52   5.422     64
    483.30   5.397     65
    481.76   5.380    119
    480.31   5.363     66
    478.26   5.341     71
    476.81   5.324     37
    217.30   2.427     37
    216.78   2.421     38
    210.03   2.346    107
    202.77   2.265     82
    178.08   1.989     92
    176.11   1.967     88
    173.80   1.941     95
    152.95   1.708     30
    145.69   1.627     42
    145.01   1.620     41
    141.85   1.584     32
    140.39   1.568     35
    139.88   1.562     35
    139.45   1.558     35
    138.85   1.551     34
    136.98   1.530     33
    136.29   1.522     31
    135.44   1.513     30
    134.92   1.507     30
    131.76   1.472     38
    113.22   1.265   1000
     84.00   0.938     63
     78.78   0.880    179
     72.72   0.812     42

in CDCl3