香葉基芳樟醇(1113-21-9)紅外圖譜(IR1)

分子式:C20H34O

分子量: 290.48

InChI:InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+

InChIKey: IQDXAJNQKSIPGB-HQSZAHFGSA-N

Smiles:C=CC(C)(O)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

¹HNMR

IR1

Raman

Mass

MS-NW-1497          
geranyl-linalool
C20H34O             (Mass of molecular ion:    290)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       4.8
      27.0       5.6
      28.0       3.4
      29.0       7.3
      39.0       7.4
      40.0       2.2
      41.0      53.0
      42.0       2.8
      43.0      10.8
      51.0       1.2
      53.0      10.4
      54.0       1.1
      55.0      24.5
      56.0       1.6
      57.0       3.9
      65.0       3.2
      66.0       1.2
      67.0      16.2
      68.0       9.3
      69.0     100.0
      70.0       6.1
      71.0       7.7
      77.0       8.2
      78.0       1.6
      79.0      14.1
      80.0       5.8
      81.0      48.4
      82.0       6.7
      83.0       5.6
      91.0      10.0
      92.0       4.3
      93.0      36.7
      94.0       6.3
      95.0      16.3
      96.0       2.2
      97.0       2.4
     105.0       9.5
     106.0       2.7
     107.0      17.1
     108.0       3.6
     109.0      10.4
     110.0       1.4
     111.0       1.1
     117.0       1.0
     119.0      12.8
     120.0       7.2
     121.0       9.7
     122.0       3.3
     123.0       5.5
     131.0       1.3
     132.0       3.3
     133.0       8.5
     134.0       6.1
     135.0       9.3
     136.0       3.9
     137.0       5.0
     145.0       1.8
     146.0       1.4
     147.0       5.2
     148.0       2.5
     149.0       1.8
     159.0       2.4
     161.0       5.7
     162.0       1.4
     163.0       1.0
     175.0       1.3
     177.0       1.1
     187.0       2.2
     189.0       2.0
     190.0       1.2
     191.0       1.3
     203.0       2.8
     204.0       1.7
     229.0       1.1
     272.0       3.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₀ H₃₄ O	0.04 ml : 0.5 ml CDCl₃
geranyl-linalool

    Assign.     Shift(ppm)

      A             5.90
      B             5.18
      C             5.12
      D             5.07
      E          2.26 to 1.80
      F     *1      1.69
      G     *1      1.68
      J     *1      1.60
      K             1.28

     Hz     ppm     Int.

    534.56   5.969     73
    527.69   5.893     96
    526.94   5.884     66
    517.19   5.775    122
    516.44   5.767     88
    475.13   5.306    113
    473.50   5.287    164
    462.81   5.168     63
    459.81   5.135    126
    458.31   5.118    260
    457.88   5.113    280
    456.25   5.095    251
    453.38   5.063     87
    453.00   5.059     85
    452.13   5.049     72
    451.50   5.042     72
    447.81   5.001    120
    446.25   4.983    113
    187.63   2.096    124
    183.81   2.053    331
    180.63   2.017    555
    180.13   2.012    559
    179.75   2.008    552
    173.25   1.935     75
    172.06   1.922     85
    171.50   1.915     81
    150.94   1.686    689
    150.00   1.675    695
    146.50   1.636    193
    143.13   1.599   1000
    114.31   1.277    982

liquid film