propargyl bromide(106-96-7) IR1
Product Namepropargyl bromide
CAS106-96-7
Molecular FormulaC3H3Br
Molecular Weight118.96
InChIInChI=1S/C3H3Br/c1-2-3-4/h1H,3H2
InChIKey YORCIIVHUBAYBQ-UHFFFAOYSA-N
SmilesC#CCBr
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MassMS-NW-4404 3-bromopropyne C3H3Br (Mass of molecular ion: 118)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
25.0 1.4 26.0 1.1 36.0 2.3 37.0 13.3 38.0 24.1 39.0 100.0 40.0 3.4 79.0 2.7 81.0 2.7 117.0 1.2 118.0 24.3 119.0 1.8 120.0 23.1 166.0 1.6
parameter in CDCl3
parameter in TMS
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1H NMR 300 MHz C3 H3 Br 0.04 ml : 0.5 ml CDCl3 3-bromopropyne 
Parameter ppm Hz
D(A) 3.879 D(B) 2.526 J(A,B) 2.62
Hz ppm Int.1165.01 3.883 988 1162.40 3.875 1000 760.41 2.535 258 757.80 2.526 497 755.19 2.517 252
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1H NMR 300 MHz C3 H3 Br 2 vol% in TMS 3-bromopropyne Parameter ppm Hz
D(A) 2.240 D(B) 3.683 J(A,B) 2.7 WHIPPLE,E.B. ET AL. J.AM.CHEM.SOC. 81, 1321 (1959)
Hz ppm Int.1106.26 3.688 988 1103.57 3.679 1000 674.69 2.249 257 672.00 2.240 497 669.30 2.231 251
in CDCl3
liquid film
PHOTOLYSIS, TRAPPED WITHIN AR MATRIX
PHOTOLYSIS OF (C2H5)3SIH/DTBPO/HCCCH2BR
