Ethyl bromoacetate(105-36-2) Raman
Product NameEthyl bromoacetate
CAS105-36-2
Molecular FormulaC4H7BrO2
Molecular Weight167
InChIInChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey PQJJJMRNHATNKG-UHFFFAOYSA-N
SmilesC(OCC)(=O)CBr
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MassMS-IW-3417 ethyl bromoacetate C4H7BrO2 (Mass of molecular ion: 166)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
14.0 6.1 15.0 6.3 26.0 7.1 27.0 49.8 28.0 57.8 29.0 100.0 30.0 5.6 31.0 4.6 41.0 9.5 42.0 40.1 43.0 57.2 44.0 2.5 45.0 21.5 59.0 1.8 60.0 11.6 73.0 10.3 77.0 2.4 79.0 3.6 80.0 2.4 81.0 3.4 82.0 2.3 87.0 18.4 91.0 2.0 92.0 3.8 93.0 40.6 94.0 19.3 95.0 38.0 96.0 15.3 107.0 10.6 109.0 10.4 120.0 4.9 121.0 98.7 122.0 7.0 123.0 96.0 124.0 2.3 138.0 46.2 139.0 11.9 140.0 45.5 141.0 11.8 151.0 2.7 153.0 2.5 166.0 29.9 167.0 2.0 168.0 29.2 169.0 1.6
parameter neat
parameter in CDCl3
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1H NMR 300 MHz C4 H7 Br O2 neat ethyl bromoacetate 
Parameter ppm Hz
D(A) 1.267 D(B) 4.186 J(A,B) 7.11 D(C) 3.870 RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400 (1969)
Hz ppm Int.1266.52 4.222 122 1259.42 4.198 369 1252.30 4.174 375 1245.20 4.151 128 1161.01 3.870 1000 387.19 1.291 377 380.10 1.267 748 373.00 1.243 367
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1H NMR 300 MHz C4 H7 Br O2 10.5 mol% in CDCl3 ethyl bromoacetate Parameter ppm Hz
D(A) 1.305 D(B) 4.237 J(A,B) 7.13 D(C) 3.837
Hz ppm Int.1281.86 4.273 122 1274.71 4.249 367 1267.59 4.225 375 1260.47 4.202 128 1151.10 3.837 1000 398.60 1.329 379 391.51 1.305 748 384.36 1.281 367
in CDCl3
liquid film
4880 A,200 M,liquid
