α-Bromocinnamaldehyde(5443-49-2) IR2
Product Nameα-Bromocinnamaldehyde
CAS5443-49-2
Molecular FormulaC9H7BrO
Molecular Weight211.06
InChIInChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H
InChIKey WQRWNOKNRHCLHV-UHFFFAOYSA-N
SmilesC(=O)C(Br)=CC1=CC=CC=C1
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MassMS-NW-8835 alpha-bromocinnamaldehyde C9H7BrO (Mass of molecular ion: 210)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.1 27.0 2.6 28.0 1.2 29.0 2.9 38.0 2.4 39.0 7.2 50.0 18.9 51.0 37.7 52.0 9.4 53.0 6.7 61.0 1.6 62.0 5.7 63.0 11.3 64.0 1.1 65.0 2.0 65.5 7.3 73.0 1.3 74.0 13.1 75.0 16.8 76.0 22.3 77.0 64.1 78.0 38.9 79.0 2.6 80.0 1.0 82.0 1.1 86.0 1.0 87.0 1.7 91.0 2.8 98.0 2.0 101.0 6.4 102.0 66.0 103.0 100.0 104.0 9.0 105.0 6.7 129.0 2.6 130.0 8.5 131.0 34.7 132.0 3.9 181.0 2.4 182.0 5.8 183.0 2.8 184.0 5.5 209.0 81.9 210.0 70.1 211.0 86.3 212.0 68.3 213.0 6.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H7 Br O 0.051 g : 0.5 ml CDCl3 alpha-bromocinnamaldehyde 
Assign. Shift(ppm)
A 9.341 B 8.00 C 7.896 D 7.50 E 7.48 J(A,C)=0.4 HZ CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.836.72 9.343 1000 836.35 9.339 944 721.73 8.059 180 721.22 8.053 160 720.19 8.042 115 719.60 8.035 158 719.17 8.031 172 718.43 8.022 142 716.82 8.004 145 715.72 7.992 211 714.33 7.976 114 713.75 7.970 106 713.16 7.963 113 712.65 7.958 147 711.99 7.950 216 711.40 7.944 251 710.16 7.930 97 707.37 7.899 544 677.42 7.564 100 675.37 7.541 111 674.56 7.532 187 673.61 7.522 737 672.00 7.504 221 670.75 7.490 484 669.58 7.477 165 669.07 7.471 212 668.26 7.462 172 667.53 7.454 264 666.87 7.447 386 665.04 7.426 76 664.09 7.416 84 663.65 7.411 69 662.84 7.402 76
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
