Ethyl benzoylacetate(94-02-0) Raman
Product NameEthyl benzoylacetate
CAS94-02-0
Molecular FormulaC11H12O3
Molecular Weight192.21
InChIInChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey GKKZMYDNDDMXSE-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)(=O)CC(=O)OCC
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MassMS-IW-5623 ethyl benzoylacetate C11H12O3 (Mass of molecular ion: 192)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.3 29.0 2.1 31.0 1.4 43.0 1.1 45.0 1.0 50.0 1.6 51.0 5.7 65.0 1.0 69.0 2.9 76.0 1.1 77.0 23.4 78.0 2.5 91.0 1.6 105.0 100.0 106.0 8.0 120.0 1.9 146.0 3.9 147.0 3.9 192.0 7.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H12 O3 0.04 ml : 0.5 ml CDCl3 ethyl benzoylacetate 
Assign. Shift(ppm)
A 12.61 B 7.95 C 7.50 D 7.50 E 8.06 to 7.32 F 5.662 G 4.256 J 4.205 K 3.981 L 1.283 M 1.251
Hz ppm Int.1129.21 12.609 79 715.72 7.992 142 714.10 7.974 156 712.65 7.958 76 711.62 7.946 73 710.17 7.930 76 708.54 7.912 157 708.12 7.907 159 705.98 7.883 217 704.70 7.869 59 700.77 7.825 44 698.55 7.800 41 695.13 7.762 36 694.27 7.753 35 691.88 7.726 32 690.94 7.715 49 680.43 7.598 59 679.32 7.586 79 676.59 7.555 78 675.65 7.545 140 673.77 7.524 355 671.46 7.498 185 669.67 7.478 103 667.70 7.456 127 666.67 7.444 213 666.16 7.439 196 664.37 7.419 109 661.98 7.392 65 661.55 7.387 64 660.44 7.375 80 659.67 7.366 64 657.36 7.340 50 507.06 5.662 149 386.66 4.318 97 384.52 4.294 83 379.48 4.238 318 377.34 4.214 103 372.30 4.157 338 370.42 4.136 54 365.30 4.079 117 359.14 4.011 33 356.15 3.977 1000 125.01 1.396 81 117.75 1.315 461 115.27 1.288 47 110.66 1.236 791 108.44 1.211 66 106.90 1.194 35 103.48 1.156 318 101.34 1.132 30
in CDCl3
liquid film
