Ethyl 4-methylbenzoate(94-08-6) 13C NMR
Product NameEthyl 4-methylbenzoate
CAS94-08-6
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey NWPWRAWAUYIELB-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=C(C)C=C1
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MassMS-NW-3776 ethyl p-toluate C10H12O2 (Mass of molecular ion: 164)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 3.1 29.0 3.2 39.0 5.1 41.0 1.6 50.0 1.4 51.0 2.4 62.0 1.2 63.0 3.8 64.0 1.1 65.0 12.4 77.0 1.1 89.0 3.6 90.0 2.6 91.0 33.9 92.0 3.9 105.0 1.1 119.0 100.0 120.0 11.1 136.0 24.9 137.0 2.4 149.0 2.8 163.0 1.0 164.0 21.5 165.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O2 0.04 ml : 0.5 ml CDCl3 ethyl p-toluate 
Assign. Shift(ppm)
A 7.92 B 7.22 C 4.350 D 2.39 E 1.378
Hz ppm Int.716.13 7.997 30 714.38 7.977 243 712.69 7.958 89 707.88 7.904 88 706.13 7.885 321 704.38 7.865 59 652.25 7.283 33 650.50 7.264 211 649.81 7.256 267 648.50 7.241 105 647.81 7.234 76 643.88 7.190 54 643.19 7.182 79 642.56 7.175 136 641.94 7.168 206 641.25 7.161 176 639.50 7.141 32 400.56 4.473 127 393.44 4.394 468 386.31 4.314 494 379.19 4.234 148 214.00 2.390 848 130.25 1.455 485 123.25 1.377 1000 116.06 1.296 427
in CDCl3
liquid film
4880 A,200 M,liquid
