2-BROMOPROPIONIC ACID N-BUTYL ESTER(41145-84-0) IR1
Product Name2-BROMOPROPIONIC ACID N-BUTYL ESTER
CAS41145-84-0
Molecular FormulaC7H13BrO2
Molecular Weight209.08
InChIInChI=1S/C7H13BrO2/c1-3-4-5-10-7(9)6(2)8/h6H,3-5H2,1-2H3
InChIKey INMAEXGIVZJYIJ-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)C(Br)C
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MassMS-NW-0951 butyl 2-bromopropionate C7H13BrO2 (Mass of molecular ion: 208)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.3 26.0 4.2 27.0 29.7 28.0 17.3 29.0 54.2 30.0 1.3 31.0 2.8 39.0 6.8 40.0 1.3 41.0 59.7 42.0 3.3 43.0 6.3 45.0 1.2 55.0 10.2 56.0 100.0 57.0 92.9 58.0 4.2 71.0 1.0 73.0 2.2 74.0 1.7 107.0 12.9 109.0 12.5 135.0 9.0 137.0 8.7 153.0 6.0 155.0 6.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H13 Br O2 0.04 ml : 0.5 ml CDCl3 butyl 2-bromopropionate 
Assign. Shift(ppm)
A 4.353 B 4.174 C 1.824 D 1.19 to 1.95 E 0.954
Hz ppm Int.401.56 4.484 75 394.56 4.406 209 387.63 4.329 222 380.75 4.252 185 374.06 4.177 310 367.56 4.105 208 166.69 1.862 1000 159.75 1.784 944 157.56 1.760 86 156.00 1.742 82 153.75 1.717 83 149.13 1.666 120 148.19 1.655 89 147.13 1.643 91 142.50 1.592 137 140.25 1.566 95 136.31 1.522 122 130.19 1.454 92 128.50 1.435 96 124.56 1.391 75 121.63 1.359 85 115.31 1.288 76 91.31 1.020 226 84.88 0.948 443 83.44 0.932 151 78.50 0.877 75 77.50 0.866 90
in CDCl3
liquid film
4880 A,200 M,liquid
