Ethyl 4-bromobenzoate(5798-75-4) MS
Product NameEthyl 4-bromobenzoate
CAS5798-75-4
Molecular FormulaC9H9BrO2
Molecular Weight229.07
InChIInChI=1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey XZIAFENWXIQIKR-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=C(Br)C=C1
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MassMS-IW-4039 ethyl p-bromobenzoate C9H9BrO2 (Mass of molecular ion: 228)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.2 28.0 1.0 29.0 5.7 38.0 1.5 45.0 5.2 50.0 14.7 51.0 3.4 65.0 2.3 74.0 6.8 75.0 22.6 76.0 23.1 77.0 3.9 103.0 1.1 104.0 3.6 105.0 1.7 149.0 11.5 150.0 1.2 155.0 28.8 156.0 2.7 157.0 28.2 158.0 2.1 183.0 100.0 184.0 11.5 185.0 97.4 186.0 11.0 200.0 43.2 201.0 3.5 202.0 42.4 203.0 3.4 213.0 1.3 215.0 1.1 227.0 1.1 228.0 22.7 229.0 3.4 230.0 22.2 231.0 2.2
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 p-bromobenzoate 
Assign. Shift(ppm)
A 7.887 B 7.552 C 4.363 D 1.381
Hz ppm Int.3159.06 7.905 86 3156.74 7.899 553 3154.79 7.894 179 3150.02 7.882 206 3147.95 7.877 556 3145.75 7.872 93 3024.41 7.568 101 3022.22 7.563 614 3020.26 7.558 185 3015.50 7.546 187 3013.43 7.541 500 3011.23 7.535 76 1754.76 4.391 205 1747.68 4.374 562 1740.48 4.356 575 1733.40 4.338 215 558.96 1.399 590 551.88 1.381 1000 544.68 1.363 582
in CDCl3
liquid film
