Ethyl 3-methylphenylacetate(40061-55-0) ¹H NMR

Product NameEthyl 3-methylphenylacetate

CAS 40061-55-0

Molecular FormulaC11H14O2

Molecular Weight178.23

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

InChIKey RVIWPVAVHHVQIR-UHFFFAOYSA-N

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

Request For Quotation

Mass

MS-NW-9447          
ethyl m-tolylacetate
C11H14O2            (Mass of molecular ion:    178)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       2.9
      29.0      12.5
      39.0       2.3
      51.0       2.7
      52.0       1.2
      52.5       1.3
      53.0       1.1
      63.0       1.2
      65.0       1.3
      77.0       8.2
      78.0       3.1
      79.0       6.6
      91.0       2.9
     103.0       5.1
     104.0       3.2
     105.0     100.0
     106.0      11.8
     119.0       1.4
     133.0       1.4
     178.0      25.4
     179.0       3.1

400 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.181
      B             7.08
      C     *1      7.07
      D     *1      7.04
      E             4.118
      F             3.541
      G             2.310
      J             1.220

     Hz     ppm     Int.

   2877.93   7.202     95
   2871.70   7.186    101
   2870.36   7.183    215
   2862.79   7.164    147
   2829.96   7.082    219
   2829.35   7.080    217
   2828.25   7.077    195
   2827.51   7.075    175
   2826.78   7.074    162
   2826.05   7.072    171
   2825.44   7.070    165
   2819.09   7.054    213
   2818.48   7.053    220
   2811.40   7.035    107
   1656.74   4.146    199
   1649.66   4.128    534
   1642.46   4.110    538
   1635.38   4.093    205
   1415.28   3.542    709
    923.46   2.311    859
    495.00   1.239    595
    492.43   1.233     50
    487.79   1.221   1000
    485.35   1.215     58
    480.59   1.203    583

in CDCl3