3-苯基-2-丙炔-1-醇(1504-58-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-苯基-2-丙炔-1-醇

CAS:1504-58-1

分子式:C9H8O

分子量: 132.16

InChI:InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2

InChIKey: NITUNGCLDSFVDL-UHFFFAOYSA-N

Smiles:C(O)C#CC1=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4782          
3-phenyl-2-propyn-1-ol
C9H8O               (Mass of molecular ion:    132)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.1
      27.0       1.9
      28.0       1.7
      29.0       4.1
      30.0       2.1
      37.0       1.3
      38.0       1.8
      39.0       5.9
      49.0       1.3
      50.0       9.3
      51.0      19.2
      51.5       1.0
      52.0       6.3
      53.0       1.7
      54.0       1.0
      55.0       2.2
      57.5       1.2
      61.0       2.3
      62.0       5.5
      63.0      11.5
      64.0       1.5
      65.0       4.9
      65.5       3.4
      66.0       1.3
      73.0       1.3
      74.0       8.2
      75.0       8.9
      76.0      13.0
      77.0      37.5
      78.0      22.1
      79.0       1.6
      85.0       1.0
      86.0       2.0
      87.0       2.7
      88.0       2.2
      89.0       6.1
      91.0       2.2
      98.0       1.9
     101.0       3.1
     102.0      43.3
     103.0      53.2
     104.0      25.5
     105.0       5.1
     113.0       2.5
     114.0       3.1
     115.0      26.5
     116.0       5.6
     129.0       3.3
     130.0       1.3
     131.0     100.0
     132.0      66.3
     133.0       6.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₈ O	0.05 ml : 0.5 ml CDCl₃
3-phenyl-2-propyn-1-ol

    Assign.     Shift(ppm)

      A             7.425
      B             7.26
      C             4.486
      D             3.6

     Hz     ppm     Int.

   2975.22   7.445     65
   2972.29   7.438    394
   2970.58   7.433    439
   2968.87   7.429    220
   2968.02   7.427    199
   2967.04   7.425    202
   2965.45   7.421    355
   2964.97   7.419    358
   2962.65   7.414    490
   2958.50   7.403     37
   2918.82   7.304     33
   2917.24   7.300     53
   2915.53   7.296     46
   2910.64   7.283    152
   2909.18   7.280    186
   2907.35   7.275    174
   2905.88   7.272    463
   2904.91   7.269    704
   2903.93   7.267    689
   2902.59   7.263    421
   2901.49   7.261    371
   2899.17   7.255    275
   2898.19   7.252    340
   2897.46   7.250    410
   2896.97   7.249    402
   2894.90   7.244     97
   2894.29   7.243     98
   2893.68   7.241    109
   2892.09   7.237    142
   2890.14   7.232     73
   2888.31   7.228     86
   2887.45   7.225     56
   1793.21   4.487   1000
   1435.30   3.592     75

in CDCl3