3-BROMO-2-BUTANONE(814-75-5) MS
Product Name3-BROMO-2-BUTANONE
CAS814-75-5
Molecular FormulaC4H7BrO
Molecular Weight151
InChIInChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3
InChIKey BNBOUFHCTIFWHN-UHFFFAOYSA-N
SmilesCC(=O)C(Br)C
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MassMS-IW-3845 3-bromo-2-butanone C4H7BrO (Mass of molecular ion: 150)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.6 26.0 3.2 27.0 12.4 28.0 1.8 29.0 1.5 39.0 2.0 41.0 2.6 42.0 6.7 43.0 100.0 44.0 4.1 55.0 1.8 56.0 2.1 57.0 1.3 79.0 1.2 81.0 1.2 107.0 6.5 109.0 6.0 150.0 14.7 152.0 14.4 173.0 1.2
parameter in CDCl3
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1H NMR 300 MHz C4 H7 Br O 0.05 ml : 0.5 ml CDCl3 3-bromo-2-butanone 
Parameter ppm Hz
D(A) 4.432 D(B) 1.741 J(A,B) 6.8 D(C) 2.376
Hz ppm Int.1339.84 4.466 41 1333.06 4.444 123 1326.25 4.421 125 1319.47 4.398 43 712.79 2.376 1000 525.70 1.752 503 518.91 1.730 496
in CDCl3
liquid film
