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CIS-1-BROMO-1-PROPENE(590-13-6) 1H NMR
Product NameCIS-1-BROMO-1-PROPENE
CAS590-13-6
Molecular FormulaC3H5Br
Molecular Weight120.98
InChIInChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3/b3-2-
InChIKey NNQDMQVWOWCVEM-IHWYPQMZSA-N
SmilesC(/Br)=C/C
parameter in acetone
parameter in benzene
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1H NMR 300 MHz C3 H5 Br 10 mol% in acetone cis-1-bromo-1-propene 
Parameter ppm Hz
D(A) 6.28 D(B) 6.23 D(C) 1.72 J(A,B) 6.9 J(A,C) -1.8 J(B,C) 6.6 HRUSKA,F. ET AL. CAN.J.CHEM. 45, 1081 (1967)
Hz ppm Int.1890.58 6.302 63 1888.94 6.296 150 1887.59 6.292 113 1883.68 6.279 111 1882.04 6.273 318 1880.60 6.269 452 1874.79 6.249 325 1868.58 6.229 304 1861.73 6.206 174 1855.30 6.184 55 526.04 1.753 29 519.88 1.733 659 518.45 1.728 1000 513.59 1.712 980 512.15 1.707 638 505.99 1.687 28
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1H NMR 300 MHz C3 H5 Br 10 mol% in benzene cis-1-bromo-1-propene Parameter ppm Hz
D(A) 5.84 D(B) 5.66 D(C) 1.47 J(A,B) 7.0 J(A,C) -1.6 J(B,C) 6.5 HRUSKA,F. ET AL. CAN.J.CHEM. 45, 1081 (1967)
Hz ppm Int.1758.09 5.860 85 1756.49 5.855 224 1754.98 5.850 221 1753.42 5.845 86 1751.09 5.837 109 1749.53 5.832 285 1747.98 5.827 289 1746.42 5.821 112 1710.99 5.703 91 1704.52 5.682 288 1698.01 5.660 337 1691.13 5.637 240 1684.62 5.615 73 445.01 1.483 995 443.45 1.478 1000 438.58 1.462 992 437.02 1.457 983
in CDCl3
