1-苯丙醇(93-54-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:1-苯丙醇

CAS:93-54-9

分子式:C9H12O

分子量: 136.19

InChI:InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3

InChIKey: DYUQAZSOFZSPHD-UHFFFAOYSA-N

Smiles:C(C1C=CC=CC=1)(O)CC

Mass

MS-NW-3395          
alpha-ethylbenzyl alcohol
C9H12O              (Mass of molecular ion:    136)

   Source Temperature: 290 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       4.4
      29.0       3.6
      31.0       1.1
      39.0       4.0
      41.0       1.1
      43.0       1.7
      50.0       3.8
      51.0       9.6
      52.0       2.7
      53.0       2.0
      57.0       2.4
      63.0       2.2
      65.0       1.8
      74.0       1.4
      75.0       1.1
      77.0      28.9
      78.0       7.2
      79.0      58.0
      80.0       4.3
      89.0       1.1
      91.0       5.7
     103.0       1.5
     105.0       5.6
     106.0       1.1
     107.0     100.0
     108.0       7.4
     115.0       2.6
     117.0       5.4
     118.0       3.8
     136.0       9.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
alpha-ethylbenzyl alcohol

    Assign.     Shift(ppm)

      A          7.38 to 7.18
      B             4.528
      C             2.19
      D             1.74
      E             0.89

     Hz     ppm     Int.

    656.13   7.327     51
    655.13   7.315    121
    653.19   7.294   1000
    651.38   7.274    237
    649.75   7.255     82
    412.25   4.604     41
    405.69   4.530     82
    399.19   4.458     45
    196.38   2.193    104
    165.56   1.849     32
    164.31   1.835     62
    163.56   1.827     47
    162.63   1.816     63
    157.63   1.761     76
    156.63   1.749    102
    156.19   1.744     97
    155.50   1.737     80
    149.88   1.674     94
    149.06   1.665    104
    142.50   1.592     61
     86.00   0.961    194
     78.88   0.881    361
     71.38   0.798    123
     70.63   0.789     74

in CDCl3