617-29-8

邻甲基间羟基二苯胺(617-29-8)核磁图(¹³CNMR)

产品名称:邻甲基间羟基二苯胺

CAS:617-29-8

分子式:C7H16O

分子量: 116.2

InChI:InChI=1S/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3

InChIKey: RGRUUTLDBCWYBL-UHFFFAOYSA-N

Smiles:CC(C)C(O)CCC

Mass

MS-NW-8555          
2-methyl-3-hexanol
C7H16O              (Mass of molecular ion:    116)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       9.0
      28.0       1.2
      29.0       7.3
      31.0      10.8
      39.0       5.3
      41.0      11.7
      42.0       1.7
      43.0      38.1
      44.0       3.8
      45.0       7.8
      53.0       1.3
      55.0     100.0
      56.0       6.7
      57.0       7.0
      59.0       1.9
      69.0       1.5
      71.0       2.3
      72.0      10.8
      73.0      85.3
      74.0       3.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₆ O	0.05 ml : 0.5 ml CDCl₃
2-methyl-3-hexanol

    Assign.     Shift(ppm)

      A             3.356
      B             1.82
      C             1.642
      D     *1      1.50
      E     *1      1.43
      F             1.35
      G             0.932
      J     *2      0.913
      K     *2      0.904

     Hz     ppm     Int.

   1350.34   3.379     53
   1346.68   3.370     71
   1345.34   3.367     79
   1341.80   3.358    107
   1338.50   3.350     85
   1337.28   3.347     83
   1333.50   3.337     65
    729.25   1.825     46
    672.85   1.684     32
    667.72   1.671     37
    666.02   1.667     80
    660.89   1.654     82
    659.18   1.650    114
    654.05   1.637    108
    652.34   1.633     97
    647.22   1.620     84
    645.63   1.616     49
    640.50   1.603     39
    617.68   1.546     43
    610.23   1.527     71
    607.91   1.522     51
    604.37   1.513     40
    602.54   1.508     61
    600.71   1.504     58
    599.00   1.499     39
    597.17   1.495     45
    594.73   1.489     54
    593.63   1.486     35
    590.45   1.478     64
    586.67   1.468     51
    583.13   1.460     41
    582.40   1.458     70
    578.74   1.449     57
    574.83   1.439     98
    572.63   1.433     41
    571.17   1.430     99
    569.21   1.425    114
    567.14   1.420     66
    566.04   1.417     69
    562.38   1.408     68
    560.55   1.403     46
    557.86   1.396     52
    556.64   1.393     80
    554.20   1.387    146
    551.88   1.381     91
    550.29   1.377    143
    547.61   1.371     42
    545.78   1.366    101
    543.82   1.361     83
    542.48   1.358    118
    540.77   1.354    105
    538.45   1.348     58
    537.48   1.345     63
    535.40   1.340     85
    534.42   1.338    130
    531.49   1.330     57
    529.91   1.326     59
    527.95   1.322     37
    524.54   1.313     42
    523.07   1.309     34
    379.39   0.950    399
    372.44   0.932    667
    368.65   0.923    891
    364.62   0.913   1000
    361.69   0.906    932
    357.79   0.896    920

in CDCl3