BENZOIC ACID 2-ETHOXYETHYL ESTER(5451-72-9) 13C NMR
Product NameBENZOIC ACID 2-ETHOXYETHYL ESTER
CAS5451-72-9
Molecular FormulaC11H14O3
Molecular Weight194.23
InChIInChI=1S/C11H14O3/c1-2-13-8-9-14-11(12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey KPHLTQOKDPSIGL-UHFFFAOYSA-N
SmilesC(OC(=O)C1=CC=CC=C1)COCC
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MassMS-NW-2215 2-ethoxyethyl benzoate C11H14O3 (Mass of molecular ion: 194)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.2 27.0 4.8 28.0 1.5 29.0 7.3 31.0 16.7 39.0 1.0 41.0 1.0 43.0 11.0 44.0 21.6 45.0 5.2 50.0 3.9 51.0 13.6 59.0 17.2 72.0 80.5 73.0 4.1 76.0 2.1 77.0 41.8 78.0 3.2 79.0 1.2 89.0 1.6 91.0 1.2 105.0 100.0 106.0 8.0 120.0 1.4 122.0 9.5 123.0 1.3 149.0 2.9 150.0 3.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H14 O3 0.04 ml : 0.5 ml CDCl3 2-ethoxyethyl benzoate 
Assign. Shift(ppm)
A 8.06 B 7.51 C 7.47 D 4.47 E 3.76 F 3.583 G 1.229
Hz ppm Int.727.38 8.122 199 725.75 8.104 221 724.38 8.089 94 723.38 8.078 82 721.81 8.060 72 720.19 8.042 166 719.75 8.037 178 717.63 8.013 274 716.50 8.001 64 684.88 7.648 41 678.06 7.572 73 676.94 7.559 104 674.19 7.528 64 673.19 7.517 150 671.25 7.495 449 670.19 7.484 173 669.06 7.471 219 667.06 7.449 90 665.19 7.428 99 664.19 7.417 147 663.63 7.410 186 663.19 7.405 181 661.81 7.390 43 660.88 7.380 34 659.38 7.363 42 657.81 7.345 73 656.50 7.331 38 654.75 7.311 50 405.19 4.525 204 401.88 4.488 101 401.19 4.480 165 400.44 4.472 257 398.94 4.455 151 398.31 4.448 106 395.44 4.416 310 341.56 3.814 308 338.69 3.782 106 338.06 3.775 153 336.56 3.758 262 335.75 3.749 173 335.06 3.742 113 331.69 3.704 230 324.00 3.618 467 317.00 3.540 490 310.19 3.464 163 116.75 1.304 487 109.88 1.227 1000 102.81 1.148 419
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
