ETHYL P-TOLYLACETATE(14062-19-2) MS

Product NameETHYL P-TOLYLACETATE

CAS 14062-19-2

Molecular FormulaC11H14O2

Molecular Weight178.23

InChIInChI=1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3

InChIKey BTRGZBIXPLFVNK-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9448          
ethyl p-tolylacetate
C11H14O2            (Mass of molecular ion:    178)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       2.8
      29.0       9.1
      39.0       1.8
      51.0       2.5
      52.0       1.0
      53.0       1.0
      63.0       1.0
      65.0       1.1
      77.0       7.6
      78.0       2.7
      79.0       6.0
      91.0       2.0
     103.0       4.7
     104.0       3.4
     105.0     100.0
     106.0       9.9
     133.0       1.0
     178.0      23.5
     179.0       3.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl p-tolylacetate

    Assign.     Shift(ppm)

      A             7.15
      B             7.11
      C             4.115
      D             3.541
      E             2.302
      F             1.218

     Hz     ppm     Int.

   2863.28   7.165    202
   2857.18   7.150    135
   2855.10   7.145    420
   2842.16   7.112    364
   2834.23   7.092    187
   1655.40   4.143    193
   1648.32   4.125    524
   1641.11   4.107    524
   1634.03   4.089    203
   1415.28   3.542    636
    924.32   2.313     42
    919.92   2.302    832
    494.14   1.237    610
    486.94   1.219   1000
    482.42   1.208     28
    479.86   1.201    595

in CDCl3