Bromoacetone(598-31-2) 13C NMR
Product NameBromoacetone
CAS598-31-2
Molecular FormulaC3H5BrO
Molecular Weight136.98
InChIInChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3
InChIKey VQFAIAKCILWQPZ-UHFFFAOYSA-N
SmilesC(Br)C(=O)C
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MassMS-IW-5644 bromoacetone C3H5BrO (Mass of molecular ion: 136)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.4 15.0 8.1 26.0 2.8 27.0 6.7 28.0 1.8 29.0 4.4 38.0 1.0 39.0 1.5 41.0 1.2 42.0 11.2 43.0 100.0 44.0 4.3 79.0 1.9 80.0 2.6 81.0 1.9 82.0 2.5 93.0 8.7 95.0 8.2 121.0 2.0 123.0 2.0 136.0 11.8 138.0 11.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C3 H5 Br O 0.05 ml : 0.5 ml CDCl3 bromoacetone 
Assign. Shift(ppm)
A 3.970 B 2.369
Hz ppm Int.1587.04 3.972 761 947.02 2.370 1000
in CDCl3
liquid film (STABILIZED WITH CACO3)
