trans-4-Phenyl-3-buten-2-one(1896-62-4) IR1

Product Nametrans-4-Phenyl-3-buten-2-one

CAS 1896-62-4

Molecular FormulaC10H10O

Molecular Weight146.19

InChIInChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

InChIKey BWHOZHOGCMHOBV-BQYQJAHWSA-N

SmilesCC(=O)/C=C/C1=CC=CC=C1

Request For Quotation

Mass

MS2016-05316CW      
trans-4-phenyl-3-buten-2-one
C10H10O             (Mass of molecular ion:    146)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      17.0       8.1
      18.0      11.3
      28.0      17.2
      43.0       8.2
      51.0      15.4
      77.0      39.5
     102.0      12.5
     103.0      96.7
     104.0       9.3
     131.0     100.0
     132.0      10.0
     145.0      68.0
     146.0      58.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₀ O	0.042 g : 0.5 ml CDCl₃
trans-4-phenyl-3-buten-2-one

    Assign.     Shift(ppm)

      A             7.54
      B             7.511
      C          7.41 to 7.37
      D             6.712
      E             2.372
     
     J(B,D)=16.4HZ

     Hz     ppm     Int.

   3015.87   7.547     91
   3014.28   7.543     70
   3013.43   7.541     89
   3012.70   7.539     90
   3011.84   7.537     94
   3010.38   7.533     99
   3008.67   7.529    209
   3006.59   7.524    128
   2992.31   7.488    142
   2959.84   7.407     35
   2959.11   7.405     31
   2955.81   7.396    241
   2954.47   7.393    134
   2953.74   7.391    138
   2952.76   7.389    252
   2951.66   7.386    150
   2949.46   7.381    233
   2947.63   7.376     60
   2690.31   6.732    194
   2673.95   6.691    175
    948.00   2.373   1000

in CDCl3