2051-33-4

四氫熏衣草醇(2051-33-4)核磁圖(¹HNMR)

產(chǎn)品名稱:四氫熏衣草醇

CAS:2051-33-4

分子式:C10H22O

分子量: 158.28

InChI:InChI=1S/C10H22O/c1-8(2)5-6-10(7-11)9(3)4/h8-11H,5-7H2,1-4H3

InChIKey: SFIQHFBITUEIBP-UHFFFAOYSA-N

Smiles:C(O)C(C(C)C)CCC(C)C

¹HNMR

IR1

Mass

MS-IW-2196          
2-isopropyl-5-methyl-1-hexanol
C10H22O             (Mass of molecular ion:    158)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0      12.3
      28.0       1.8
      29.0      16.8
      31.0       6.9
      39.0       9.0
      40.0       1.6
      41.0      50.6
      42.0       8.0
      43.0      92.6
      44.0       4.7
      45.0       4.0
      53.0       3.6
      54.0       2.5
      55.0      68.7
      56.0      63.3
      57.0      99.8
      58.0       5.5
      59.0       2.0
      67.0       3.2
      68.0       3.4
      69.0      62.0
      70.0      34.1
      71.0     100.0
      72.0       6.4
      73.0       1.4
      81.0       3.2
      82.0       3.8
      83.0      17.5
      84.0      30.1
      85.0      46.3
      86.0       3.5
      96.0       4.1
      97.0      26.9
      98.0       4.8
     111.0       1.4
     112.0       4.2
     115.0       3.6
     125.0       3.3
     126.0       3.8
     127.0       6.8
     140.0       4.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₂₂ O	0.05 ml : 0.5 ml CDCl₃
2-isopropyl-5-methyl-1-hexanol

    Assign.     Shift(ppm)

      A             3.546
      B             2.53
      C             1.828
      D             1.510
      E             1.28
      F             1.19
      G     *1      0.895
      J     *1      0.889
      K             0.881

     Hz     ppm     Int.

   1422.12   3.559    125
   1418.46   3.550    159
   1416.63   3.545    167
   1413.45   3.537    142
   1408.20   3.524     36
   1011.60   2.532    103
    739.87   1.852     51
    735.72   1.841     56
    733.03   1.835     71
    728.76   1.824     74
    726.20   1.818     58
    721.92   1.807     57
    617.19   1.545     37
    610.72   1.529     71
    604.13   1.512     90
    601.56   1.506     30
    597.53   1.496     77
    590.94   1.479     43
    535.40   1.340     40
    534.06   1.337     46
    529.91   1.326     63
    527.83   1.321     42
    524.54   1.313     81
    520.75   1.304     59
    517.70   1.296     91
    512.21   1.282     74
    510.74   1.278     76
    507.32   1.270     96
    502.56   1.258     60
    499.15   1.249     65
    496.70   1.243     68
    494.38   1.238     50
    492.43   1.233     47
    489.01   1.224     92
    485.84   1.216     71
    484.50   1.213     97
    479.86   1.201    151
    477.66   1.196    136
    476.44   1.193    168
    473.51   1.185    186
    470.09   1.177    122
    466.92   1.169    102
    463.62   1.161     31
    461.30   1.155     48
    372.56   0.933     47
    369.51   0.925     66
    366.46   0.917    105
    361.45   0.905    747
    358.40   0.897    791
    355.59   0.890   1000
    354.61   0.888    883
    351.68   0.880    723
    348.75   0.873    980
    340.82   0.853     93
    337.89   0.846     76

liquid film