4-ISOPROPYLPHENYL ACETATE(2664-32-6) MS

Product Name4-ISOPROPYLPHENYL ACETATE

CAS 2664-32-6

Molecular FormulaC11H14O2

Molecular Weight178.23

InChIInChI=1S/C11H14O2/c1-8(2)10-4-6-11(7-5-10)13-9(3)12/h4-8H,1-3H3

InChIKey SGFXBRIXZGHPBH-UHFFFAOYSA-N

SmilesC1(OC(=O)C)=CC=C(C(C)C)C=C1

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3560          
p-isopropylphenyl acetate
C11H14O2            (Mass of molecular ion:    178)

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

      15.0       1.0
      27.0       1.1
      39.0       3.2
      41.0       2.5
      43.0       9.1
      51.0       1.7
      63.0       1.4
      65.0       3.5
      77.0       6.4
      78.0       1.0
      79.0       1.1
      91.0       8.0
      92.0       1.6
      93.0       1.8
     103.0       4.4
     107.0       2.2
     119.0       1.3
     120.0       2.1
     121.0     100.0
     122.0       9.5
     135.0       1.9
     136.0      44.4
     137.0       4.5
     163.0       1.7
     178.0       8.0
     179.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
p-isopropylphenyl acetate

    Assign.     Shift(ppm)

      A             7.200
      B             6.985
      C             2.884
      D             2.234
      E             1.224

     Hz     ppm     Int.

   2883.06   7.214    205
   2882.57   7.213    234
   2880.86   7.209     83
   2880.37   7.208     77
   2876.46   7.198     87
   2875.98   7.197     91
   2874.27   7.192    279
   2873.78   7.191    240
   2871.58   7.186     49
   2871.09   7.185     45
   2798.22   7.002     45
   2795.53   6.995    322
   2793.33   6.990    108
   2788.94   6.979     95
   2786.99   6.974    265
   2784.18   6.967     42
   1159.67   2.902     64
   1152.71   2.885     84
   1145.75   2.867     65
    892.94   2.235   1000
    889.16   2.225     53
    492.55   1.233    899
    485.60   1.216    873

in CDCl3

liquid film

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