Methyl 3-bromopropionate(3395-91-3) MS
Product NameMethyl 3-bromopropionate
CAS3395-91-3
Molecular FormulaC4H7BrO2
Molecular Weight167
InChIInChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3
InChIKey KQEVIFKPZOGBMZ-UHFFFAOYSA-N
SmilesC(OC)(=O)CCBr
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MassMS-IW-9174 methyl 3-bromopropionate C4H7BrO2 (Mass of molecular ion: 166)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.1 15.0 22.4 25.0 1.1 26.0 8.3 27.0 51.2 28.0 16.6 29.0 5.3 30.0 1.5 31.0 4.0 39.0 1.0 41.0 3.3 42.0 2.1 43.0 2.1 45.0 5.2 55.0 20.6 56.0 1.5 59.0 40.4 60.0 2.0 79.0 1.9 80.0 3.7 81.0 1.9 82.0 3.5 85.0 1.0 87.0 100.0 88.0 4.7 93.0 1.0 94.0 1.6 95.0 1.1 96.0 1.5 106.0 2.2 107.0 32.0 108.0 2.8 109.0 30.6 135.0 13.2 136.0 1.2 137.0 12.4 166.0 8.2 168.0 7.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H7 Br O2 0.05 ml : 0.5 ml CDCl3 methyl 3-bromopropionate 
Assign. Shift(ppm)
A 3.733 B 3.594 C 2.939
Hz ppm Int.1492.19 3.734 1000 1443.24 3.612 365 1436.40 3.595 606 1429.57 3.578 384 1181.52 2.957 335 1174.68 2.940 525 1170.90 2.930 27 1167.85 2.923 298
in CDCl3
liquid film
