ETHYL O-TOLYLACETATE(40291-39-2) MS

Product NameETHYL O-TOLYLACETATE

CAS 40291-39-2

Molecular FormulaC11H14O2

Molecular Weight178.23

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

InChIKey HTDQOYWJDUMNHX-UHFFFAOYSA-N

SmilesC1(CC(OCC)=O)=CC=CC=C1C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9295          
ethyl o-tolylacetate
C11H14O2            (Mass of molecular ion:    178)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       4.2
      29.0      13.0
      39.0       3.1
      50.0       1.0
      51.0       3.8
      52.0       1.3
      52.5       1.3
      53.0       1.5
      63.0       1.7
      65.0       1.9
      77.0      11.4
      78.0       4.5
      79.0       9.4
      91.0       4.5
      93.0       1.8
     103.0       7.5
     104.0      23.3
     105.0     100.0
     106.0       9.9
     119.0       1.2
     121.0       1.8
     131.0       1.0
     132.0      12.5
     133.0       2.9
     178.0      23.1
     179.0       2.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl o-tolylacetate

    Assign.     Shift(ppm)

      A             7.14
      B             4.122
      C             3.590
      D             2.295
      E             1.214

     Hz     ppm     Int.

    646.25   7.216     27
    639.06   7.136    937
    636.75   7.110    103
    380.13   4.245     88
    372.94   4.165    266
    365.81   4.085    276
    358.75   4.006     99
    326.38   3.645     25
    321.56   3.591    619
    205.63   2.297   1000
    115.63   1.292    329
    113.63   1.269     38
    113.44   1.267     38
    112.50   1.257     33
    108.56   1.213    666
    106.38   1.188     37
    105.00   1.173     25
    104.44   1.167     25
    101.38   1.132    284

in CDCl3