1-PHENYL-1-BUTYNE(622-76-4) IR1

Product Name1-PHENYL-1-BUTYNE

CAS 622-76-4

Molecular FormulaC10H10

Molecular Weight130.19

InChIInChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1H3

InChIKey FFFMSANAQQVUJA-UHFFFAOYSA-N

SmilesC1(C#CCC)=CC=CC=C1

Request For Quotation

1-PHENYL-1-BUTYNE(622-76-4) IR1
Mass

MS-IW-3677          
1-phenyl-1-butyne
C10H10              (Mass of molecular ion:    130)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.4
      39.0       5.0
      50.0       4.6
      51.0      10.5
      52.0       2.2
      61.0       1.4
      62.0       3.9
      63.0      11.2
      63.5       1.3
      64.0       8.3
      64.5       1.4
      65.0       4.8
      74.0       4.3
      75.0       4.5
      76.0       3.2
      77.0       7.1
      78.0       2.2
      86.0       1.7
      87.0       2.6
      88.0       2.0
      89.0       7.5
      91.0       1.7
      98.0       1.2
     101.0       1.4
     102.0       6.7
     103.0       2.4
     113.0       2.3
     114.0       2.9
     115.0     100.0
     116.0      10.5
     126.0       2.6
     127.0      14.2
     128.0      30.9
     129.0      61.1
     130.0      81.5
     131.0       8.8

400 MHz in CDCl3

1-PHENYL-1-BUTYNE(622-76-4) IR1

¹H NMR	399.65 MHz
C₁₀ H₁₀	0.05 ml : 0.5 ml CDCl₃
1-phenyl-1-butyne

    Assign.     Shift(ppm)

      A             7.388
      B          7.27 to 7.20
      C             2.389
      D             1.212

     Hz     ppm     Int.

   2958.50   7.403    192
   2956.18   7.397    149
   2955.32   7.395    150
   2954.22   7.393    105
   2953.37   7.390    106
   2950.56   7.383    277
   2948.73   7.379    276
   2946.78   7.374     41
   2945.92   7.372     50
   2906.01   7.272     48
   2905.27   7.270     33
   2904.17   7.267     34
   2901.73   7.261     84
   2900.15   7.257     77
   2897.22   7.250    216
   2896.61   7.248    252
   2896.00   7.247    183
   2894.90   7.244    165
   2893.55   7.241    169
   2890.87   7.234    451
   2889.40   7.230    447
   2886.47   7.223    125
   2885.86   7.221     96
   2884.40   7.218     72
    966.55   2.419    145
    958.98   2.400    434
    951.42   2.381    446
    943.97   2.362    172
    491.94   1.231    573
    484.38   1.213   1000
    481.20   1.205     45
    476.93   1.194    597

in CDCl3