52710-27-7

4-N-PROPYLBENZOYL CHLORIDE(52710-27-7) IR1

Product Name4-N-PROPYLBENZOYL CHLORIDE

CAS 52710-27-7

Molecular FormulaC10H11ClO

Molecular Weight182.65

InChIInChI=1S/C10H11ClO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3

InChIKey NZYPCJXREKMMCJ-UHFFFAOYSA-N

SmilesC(Cl)(=O)C1=CC=C(CCC)C=C1

Request For Quotation

¹HNMR

¹³CNMR

IR1

4-N-PROPYLBENZOYL CHLORIDE(52710-27-7) IR1
Mass

MS-IW-3278          
p-propylbenzoyl chloride
C10H11ClO           (Mass of molecular ion:    182)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.7
      39.0       3.7
      41.0       5.2
      50.0       2.4
      51.0       4.4
      62.0       1.2
      63.0       4.0
      64.0       1.4
      65.0       2.6
      75.0       1.2
      76.0       1.0
      77.0       4.3
      78.0       1.1
      79.0       1.4
      89.0       7.1
      90.0       8.6
      91.0      19.6
      92.0       1.6
     103.0       2.4
     104.0       1.4
     115.0       2.2
     117.0       2.2
     118.0       2.9
     119.0       8.8
     125.0       5.2
     127.0       1.7
     135.0       1.0
     147.0     100.0
     148.0      11.1
     149.0       1.0
     182.0       2.9

400 MHz in CDCl3

4-N-PROPYLBENZOYL CHLORIDE(52710-27-7) IR1

¹H NMR	399.65 MHz
C₁₀ H₁₁ Cl O	0.05 ml : 0.5 ml CDCl₃
p-propylbenzoyl chloride

    Assign.     Shift(ppm)

      A             8.004
      B             7.291
      C             2.659
      D             1.662
      E             0.944

     Hz     ppm     Int.

   3205.57   8.021     66
   3203.61   8.017    429
   3201.66   8.012    170
   3197.02   8.000    152
   3194.95   7.995    498
   3192.99   7.990    101
   2920.17   7.307     63
   2918.21   7.302    390
   2917.72   7.301    343
   2916.26   7.298    153
   2914.18   7.292     33
   2911.50   7.286    127
   2909.55   7.281    403
   2907.59   7.276     89
   1070.80   2.680    214
   1063.23   2.661    275
   1055.42   2.641    245
    683.72   1.711     48
    676.27   1.693    176
    668.70   1.674    259
    662.48   1.658    112
    661.13   1.655    283
    655.27   1.640     48
    653.69   1.636    192
    646.36   1.618     54
    384.64   0.963    554
    381.23   0.954     37
    377.32   0.945   1000
    372.44   0.932     36
    370.00   0.926    532

in CDCl3