1-Bromo-2,3-epoxypropane(3132-64-7) IR2
Product Name1-Bromo-2,3-epoxypropane
CAS3132-64-7
Molecular FormulaC3H5BrO
Molecular Weight136.98
InChIInChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2
InChIKey GKIPXFAANLTWBM-UHFFFAOYSA-N
SmilesO1CC1CBr
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MassMS-NW-8347 2-(bromomethyl)oxirane C3H5BrO (Mass of molecular ion: 136)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
14.0 1.9 15.0 5.4 25.0 1.0 26.0 8.0 27.0 47.7 28.0 6.1 29.0 46.1 30.0 2.4 31.0 35.8 37.0 1.0 38.0 1.5 39.0 3.9 42.0 2.3 43.0 2.9 44.0 1.2 57.0 100.0 58.0 3.5 79.0 1.8 80.0 1.2 81.0 1.9 82.0 1.2 93.0 3.9 95.0 3.4 106.0 1.7 107.0 1.1 108.0 1.4 123.0 1.6 125.0 1.5
parameter in benzene
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1H NMR 300 MHz C3 H5 Br O 10 mol% in benzene 2-(bromomethyl)oxirane 
Parameter ppm Hz
D(A) 2.719 D(B) 2.273 D(C) 1.994 D(D) *1 2.824 D(E) *1 2.744 J(A,B) 3.82 J(A,C) 2.37 J(A,D) 6.18 J(A,E) 5.44 J(B,C) 5.05 J(B,D) 0.67 J(B,E) 0.01 J(C,D) -0.32 J(C,E) -0.26 J(D,E) -10.58 MACDONALD,C.J. & REYNOLDS,W.F. CAN.J.CHEM. 48, 1046 (1970)
Hz ppm Int.858.65 2.862 88 855.89 2.853 72 854.61 2.849 84 852.39 2.841 53 850.74 2.836 251 846.85 2.823 365 846.38 2.821 372 843.54 2.812 119 841.79 2.806 174 841.02 2.803 232 839.04 2.797 372 837.73 2.792 170 836.72 2.789 89 830.46 2.768 517 825.36 2.751 1000 823.01 2.743 96 821.92 2.740 70 819.73 2.732 297 817.85 2.726 681 816.78 2.723 713 815.92 2.720 377 814.92 2.716 244 813.51 2.712 221 811.29 2.704 212 809.80 2.699 91 808.38 2.695 87 806.12 2.687 89 689.94 2.300 22 685.91 2.286 421 683.79 2.279 197 682.34 2.274 362 681.70 2.272 317 680.93 2.270 390 679.79 2.266 304 677.31 2.258 342 675.37 2.251 45 605.83 2.019 14 601.68 2.006 473 599.66 1.999 593 596.74 1.989 374 595.41 1.985 328 594.57 1.982 417 591.26 1.971 23
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
