4-tert-Butylbenzoyl chloride(1710-98-1) IR1

Product Name4-tert-Butylbenzoyl chloride

CAS 1710-98-1

Molecular FormulaC11H13ClO

Molecular Weight196.67

InChIInChI=1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3

InChIKey WNLMYNASWOULQY-UHFFFAOYSA-N

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

Request For Quotation

4-tert-Butylbenzoyl chloride(1710-98-1) IR1
Mass

MS-NW-7785          
p-tert-butylbenzoyl chloride
C11H13ClO           (Mass of molecular ion:    196)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.0
      29.0       2.3
      39.0       5.1
      41.0       8.9
      50.0       3.6
      51.0       6.4
      52.0       1.1
      53.0       1.0
      55.0       1.4
      57.0       2.1
      57.5       1.2
      58.0       3.6
      63.0       2.5
      65.0       3.5
      71.0       1.6
      72.0       4.4
      72.5       1.6
      73.0       2.4
      74.0       1.4
      75.0       2.0
      76.0       2.0
      77.0       5.9
      78.0       1.8
      89.0       1.9
      90.0       2.7
      91.0       8.4
     102.0       1.9
     103.0       3.5
     105.0       3.8
     115.0       6.0
     116.0       1.7
     117.0       5.4
     118.0       9.0
     119.0       2.6
     125.0       8.4
     127.0       3.0
     131.0       1.0
     133.0       1.7
     145.0       3.4
     146.0       6.0
     153.0      11.9
     154.0       1.4
     155.0       4.0
     161.0     100.0
     162.0      12.4
     163.0       1.4
     181.0      22.8
     182.0       2.8
     183.0       7.8
     196.0       3.2
     198.0       1.0

90 MHz in CDCl3

4-tert-Butylbenzoyl chloride(1710-98-1) IR1

¹H NMR	89.56 MHz
C₁₁ H₁₃ Cl O	0.05 ml : 0.5 ml CDCl₃
p-tert-butylbenzoyl chloride

    Assign.     Shift(ppm)

      A             8.029
      B             7.516
      C             1.346

     Hz     ppm     Int.

    724.31   8.088     65
    722.25   8.065     24
    717.56   8.013     29
    715.44   7.989     89
    676.94   7.559     87
    674.81   7.535     27
    670.13   7.483     23
    668.06   7.460     58
    120.63   1.347   1000

in CDCl3