623-37-0

3-己醇(623-37-0)Raman光谱

产品名称:3-己醇

CAS:623-37-0

分子式:C6H14O

分子量: 102.17

InChI:InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3

InChIKey: ZOCHHNOQQHDWHG-UHFFFAOYSA-N

Smiles:CCC(O)CCC

Mass

MS-NW-1157          
3-hexanol
C6H14O              (Mass of molecular ion:    102)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.3
      18.0       1.2
      19.0       1.0
      26.0       1.1
      27.0      12.6
      28.0       4.7
      29.0      11.4
      30.0       1.0
      31.0      37.4
      32.0       1.0
      39.0       6.3
      41.0      20.5
      42.0       3.1
      43.0      29.1
      44.0       3.4
      45.0       5.3
      53.0       1.2
      55.0      77.3
      56.0       5.5
      57.0       6.7
      58.0       8.0
      59.0     100.0
      60.0       3.6
      69.0       1.7
      72.0       4.4
      73.0      46.5
      74.0       2.2
      84.0       1.1
      85.0       1.9
     101.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₄ O	0.04 ml : 0.5 ml CDCl₃
3-hexanol

    Assign.     Shift(ppm)

      A             3.54
      B             1.74
      C          1.67 to 1.11
      D             0.94

     Hz     ppm     Int.

    322.49   3.601     42
    321.46   3.590     51
    319.58   3.569     43
    316.25   3.532     72
    315.14   3.519     57
    313.26   3.498     42
    312.40   3.489     39
    311.89   3.483     40
    310.35   3.466     45
    309.84   3.460     45
    155.60   1.738    480
    147.66   1.649     45
    145.01   1.620     48
    142.36   1.590     46
    141.08   1.576     51
    139.28   1.556    135
    137.57   1.537    144
    136.04   1.519     72
    133.98   1.496    178
    131.34   1.467    379
    130.65   1.459    442
    129.46   1.446    311
    128.52   1.436    310
    126.72   1.415    335
    126.12   1.409    343
    125.18   1.398    310
    124.24   1.388    497
    120.74   1.349    158
    119.12   1.331    137
    117.75   1.315    126
    114.76   1.282     39
    113.90   1.272     43
    110.23   1.231     41
    109.03   1.218     32
    104.50   1.167     32
    103.82   1.160     31
     93.82   1.048     49
     91.69   1.024    271
     90.83   1.015    490
     90.06   1.006    383
     88.95   0.994    208
     84.08   0.939   1000
     83.40   0.932    739
     79.72   0.891    185
     78.36   0.875    155
     77.33   0.864    231
     76.31   0.853    260
     74.85   0.836    160
     73.57   0.822     69
     71.95   0.804     33

in CDCl3