ETHYL O-TOLYLACETATE(40291-39-2) 1H NMR
Product NameETHYL O-TOLYLACETATE
CAS40291-39-2
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
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MassMS-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
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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
liquid film
