ISOBUTYRYL BROMIDE(2736-37-0) 13C NMR
Product NameISOBUTYRYL BROMIDE
CAS2736-37-0
Molecular FormulaC4H7BrO
Molecular Weight151
InChIInChI=1S/C4H7BrO/c1-3(2)4(5)6/h3H,1-2H3
InChIKey ICNCZFQYZKPYMS-UHFFFAOYSA-N
SmilesC(Br)(=O)C(C)C
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MassMS-NW-5121 isobutyryl bromide C4H7BrO (Mass of molecular ion: 150)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.0 15.0 3.7 25.0 1.3 26.0 8.3 27.0 50.9 28.0 12.5 29.0 2.6 36.0 1.1 37.0 3.7 38.0 5.8 39.0 25.9 40.0 7.3 41.0 69.8 42.0 11.1 43.0 100.0 44.0 3.4 55.0 2.0 70.0 10.1 71.0 54.3 72.0 2.5 73.0 1.5 79.0 3.2 80.0 3.5 81.0 3.0 82.0 3.5 107.0 1.9 109.0 1.9 127.0 1.6
parameter in CDCl3
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1H NMR 300 MHz C4 H7 Br O 0.04 ml : 0.5 ml CDCl3 isobutyryl bromide 
Parameter ppm Hz
D(A) 3.027 D(B) 1.291 J(A,B) 6.9
Hz ppm Int.922.03 3.073 29 915.12 3.050 71 908.22 3.027 95 901.33 3.004 74 894.43 2.981 32 390.73 1.302 1000 383.84 1.279 972
in CDCl3
liquid film
