10229-11-5

4-苯基-3-丁炔-1-醇(10229-11-5)質(zhì)譜(MS)

產(chǎn)品名稱:4-苯基-3-丁炔-1-醇

CAS:10229-11-5

分子式:C10H10O

分子量: 146.19

InChI:InChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,5,9H2

InChIKey: IBHSROAJVVUWSC-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4781          
4-phenyl-3-butyn-1-ol
C10H10O             (Mass of molecular ion:    146)

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

      18.0       1.1
      28.0       1.1
      31.0       3.1
      39.0       3.8
      50.0       2.4
      51.0       4.4
      62.0       2.6
      63.0       7.7
      64.0       1.6
      65.0       4.8
      74.0       2.2
      75.0       2.7
      76.0       1.8
      77.0       3.6
      78.0       1.4
      86.0       1.1
      87.0       1.7
      88.0       1.8
      89.0       9.1
      90.0       1.0
      91.0       1.8
     102.0       4.9
     103.0       1.3
     105.0       3.0
     113.0       2.1
     114.0       3.0
     115.0     100.0
     116.0      46.4
     117.0       7.4
     118.0       1.8
     126.0       1.3
     127.0       4.8
     128.0      17.6
     129.0       2.8
     131.0       1.7
     145.0       4.6
     146.0      45.4
     147.0       5.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₀ O	0.05 ml : 0.5 ml CDCl₃
4-phenyl-3-butyn-1-ol

    Assign.     Shift(ppm)

      A             7.407
      B             7.26
      C             3.775
      D             3.37
      E             2.644

     Hz     ppm     Int.

   2969.36   7.430     42
   2965.33   7.420    288
   2963.75   7.416    209
   2962.16   7.412    292
   2961.30   7.410    292
   2959.96   7.407    296
   2958.50   7.403    325
   2957.28   7.400    254
   2955.69   7.396    364
   2951.66   7.386     70
   2909.91   7.282     41
   2907.10   7.275    119
   2906.49   7.273    124
   2905.27   7.270    257
   2904.79   7.269    255
   2903.44   7.265    727
   2901.98   7.262    397
   2901.25   7.260    443
   2900.15   7.257    718
   2899.05   7.254    426
   2896.97   7.249    685
   2895.63   7.246    205
   2892.94   7.239     88
   2892.58   7.238     87
   1515.14   3.792    491
   1508.67   3.775   1000
   1502.20   3.759    487
   1346.68   3.370     61
   1062.99   2.660    429
   1056.52   2.644    818
   1050.05   2.628    394

in CDCl3