ETHYL 3-BROMOBENZOATE(24398-88-7) 13C NMR
Product NameETHYL 3-BROMOBENZOATE
CAS24398-88-7
Molecular FormulaC9H9BrO2
Molecular Weight229.07
InChIInChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey QAUASTLEZAPQTB-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=CC(Br)=C1
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MassMS-IW-9050 ethyl m-bromobenzoate C9H9BrO2 (Mass of molecular ion: 228)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.4 27.0 7.7 28.0 2.4 29.0 12.8 37.0 1.0 38.0 3.1 39.0 1.7 43.0 1.1 45.0 9.7 49.0 1.0 50.0 22.5 51.0 5.4 65.0 3.9 73.0 1.4 74.0 9.1 75.0 28.3 76.0 31.8 77.0 6.8 103.0 1.4 104.0 3.0 105.0 2.4 131.0 2.4 149.0 16.2 150.0 1.7 155.0 34.1 156.0 3.5 157.0 33.2 158.0 2.9 183.0 100.0 184.0 12.3 185.0 98.4 186.0 11.2 200.0 49.4 201.0 4.4 202.0 48.1 203.0 4.0 210.0 2.7 212.0 2.6 213.0 2.1 215.0 1.5 227.0 1.0 228.0 31.6 229.0 4.4 230.0 30.8 231.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 Br O2 0.05 ml : 0.5 ml CDCl3 ethyl m-bromobenzoate 
Assign. Shift(ppm)
A 8.165 B 7.961 C 7.654 D 7.297 E 4.375 F 1.390
Hz ppm Int.3265.38 8.171 161 3264.89 8.170 179 3263.31 8.166 306 3262.82 8.165 208 3261.72 8.162 184 3261.23 8.161 180 3187.26 7.976 141 3186.16 7.973 166 3185.67 7.972 157 3184.57 7.969 145 3179.44 7.956 150 3178.34 7.953 171 3177.86 7.952 170 3176.76 7.949 150 3064.70 7.669 129 3063.60 7.666 137 3062.74 7.664 133 3061.65 7.661 130 3056.76 7.649 155 3055.66 7.646 157 3054.69 7.644 161 3053.59 7.641 150 2924.19 7.317 162 2923.71 7.316 170 2915.89 7.297 266 2908.33 7.278 143 2907.96 7.277 151 1759.52 4.403 204 1752.44 4.385 553 1745.24 4.367 572 1738.16 4.350 211 562.87 1.409 586 560.30 1.402 34 555.79 1.391 1000 548.58 1.373 574
in CDCl3
liquid film
