對叔丁基苯甲酰氯(1710-98-1)核磁圖(¹³CNMR)

產品名稱:對叔丁基苯甲酰氯

CAS:1710-98-1

分子式:C11H13ClO

分子量: 196.67

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

InChIKey: WNLMYNASWOULQY-UHFFFAOYSA-N

Smiles:C(Cl)(=O)C1=CC=C(C(C)(C)C)C=C1

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

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