Ethyl 2-methylbenzoate(87-24-1) MS
Product NameEthyl 2-methylbenzoate
CAS87-24-1
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChIKey SOUAXOGPALPTTC-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=CC=C1C
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MassMS-NW-3647 ethyl o-toluate C10H12O2 (Mass of molecular ion: 164)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.1 26.0 1.3 27.0 6.7 28.0 1.6 29.0 8.3 38.0 1.7 39.0 12.2 40.0 1.0 41.0 3.2 43.0 1.0 45.0 1.1 50.0 2.7 51.0 6.0 52.0 1.3 53.0 1.2 62.0 2.6 63.0 8.1 64.0 2.8 65.0 24.6 66.0 1.5 77.0 6.6 79.0 6.0 89.0 8.8 90.0 21.6 91.0 62.2 92.0 6.5 105.0 2.1 107.0 1.4 118.0 68.1 119.0 100.0 120.0 11.1 121.0 1.0 131.0 1.5 133.0 1.0 135.0 25.4 136.0 10.5 137.0 1.0 149.0 3.3 163.0 1.5 164.0 45.0 165.0 5.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O2 10.7 mol% in CDCl3 ethyl o-toluate 
Assign. Shift(ppm)
A 1.367 B 4.333 C 2.590 D 7.47 to 7.08 E 7.891
Hz ppm Int.712.44 7.955 70 710.31 7.932 75 708.13 7.907 44 704.25 7.864 78 702.63 7.846 116 661.00 7.381 36 660.19 7.372 62 659.44 7.364 42 658.13 7.349 60 656.31 7.329 45 653.63 7.299 215 651.56 7.276 182 650.44 7.263 161 650.06 7.259 150 648.25 7.239 141 647.69 7.232 126 646.63 7.221 138 646.06 7.214 146 645.56 7.209 120 644.94 7.202 108 644.38 7.195 115 643.88 7.190 97 641.75 7.166 59 641.00 7.158 63 640.31 7.150 51 639.25 7.138 37 638.75 7.133 39 399.00 4.456 128 391.81 4.375 459 384.69 4.296 482 377.69 4.218 153 231.94 2.590 971 129.31 1.444 491 122.25 1.366 1000 115.06 1.285 434
in CDCl3
liquid film
4880 A,200 M,liquid
