Ethyl 2-bromo-3-methylbutyrate(609-12-1) IR1
Product NameEthyl 2-bromo-3-methylbutyrate
CAS609-12-1
Molecular FormulaC7H13BrO2
Molecular Weight209.08
InChIInChI=1S/C7H13BrO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4H2,1-3H3
InChIKey WNFUWONOILPKNX-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(Br)C(C)C
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MassMS-IW-3997 ethyl 2-bromo-3-methylbutyrate C7H13BrO2 (Mass of molecular ion: 208)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.2 26.0 1.4 27.0 18.5 28.0 4.7 29.0 70.7 30.0 2.0 39.0 15.1 40.0 2.5 41.0 29.4 42.0 3.7 43.0 24.7 44.0 1.2 45.0 8.2 53.0 3.9 54.0 1.1 55.0 91.2 56.0 12.6 57.0 10.4 59.0 7.4 60.0 1.3 68.0 1.3 69.0 12.9 70.0 1.1 73.0 8.7 82.0 1.5 83.0 10.5 84.0 1.5 85.0 4.9 86.0 1.7 87.0 4.2 88.0 2.2 100.0 1.2 101.0 28.3 102.0 1.8 107.0 4.9 109.0 4.9 120.0 7.8 121.0 2.6 122.0 7.4 123.0 1.7 129.0 47.8 130.0 3.8 135.0 27.3 136.0 2.0 137.0 26.7 138.0 58.9 139.0 1.9 140.0 56.6 141.0 1.7 163.0 8.3 165.0 9.0 166.0 100.0 167.0 5.4 168.0 97.2 169.0 4.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H13 Br O2 0.05 ml : 0.5 ml CDCl3 ethyl 2-bromo-3-methylbutyrate 
Assign. Shift(ppm)
A 4.232 B 4.037 C 2.233 D 1.301 E *1 1.104 F *1 1.034
Hz ppm Int.1702.51 4.261 200 1695.31 4.242 553 1692.14 4.235 36 1688.23 4.225 566 1684.69 4.216 39 1681.03 4.207 218 1617.55 4.048 374 1609.74 4.028 383 910.16 2.278 34 903.56 2.261 89 896.85 2.245 127 895.75 2.242 103 890.26 2.228 106 889.04 2.225 129 883.54 2.211 53 882.32 2.208 96 875.73 2.192 39 527.34 1.320 602 524.29 1.312 58 520.14 1.302 1000 513.06 1.284 583 509.40 1.275 52 448.73 1.123 43 444.46 1.113 849 437.74 1.096 827 421.14 1.054 33 416.87 1.044 835 410.16 1.027 817
in CDCl3
liquid film
