4-BROMOCINNAMIC ACID(17916-60-8) MS
Product Name4-BROMOCINNAMIC ACID
CAS17916-60-8
Molecular FormulaC9H7BrO2
Molecular Weight227.05
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MassMS-NW-9872 trans-p-bromocinnamic acid C9H7BrO2 (Mass of molecular ion: 226)
Source Temperature: 230 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 2.8 38.0 1.5 39.0 2.1 45.0 2.2 49.0 1.3 50.0 10.8 51.0 19.9 51.5 1.0 52.0 2.1 59.0 1.7 61.0 1.0 62.0 2.2 63.0 4.0 65.0 3.5 69.0 1.4 73.0 3.6 73.5 6.1 74.0 7.6 75.0 14.7 76.0 11.3 77.0 6.0 89.0 1.8 90.0 2.5 90.5 1.3 91.0 13.0 91.5 1.3 92.0 1.1 98.0 1.6 99.0 1.5 100.0 1.3 101.0 13.2 102.0 51.1 103.0 9.1 104.5 1.6 105.5 1.6 118.0 3.7 119.0 5.3 130.0 6.5 147.0 20.3 148.0 2.1 155.0 1.2 157.0 2.0 169.0 2.3 171.0 2.2 180.0 9.7 181.0 14.7 182.0 11.0 183.0 15.3 184.0 1.9 185.0 2.5 187.0 1.5 198.0 2.0 200.0 1.9 208.0 4.2 209.0 18.5 210.0 5.8 211.0 18.0 212.0 1.7 225.0 45.1 226.0 100.0 227.0 53.2 228.0 97.3 229.0 9.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H7 Br O2 0.033 g : 0.5 ml DMSO-d6 trans-p-bromocinnamic acid 
Assign. Shift(ppm)
A 12.5 B 7.664 C 7.621 D 7.591 E 6.591 J(D,E)=15.9HZ
Hz ppm Int.4999.34 12.510 55 3068.95 7.680 378 3067.49 7.676 191 3062.54 7.664 236 3060.53 7.659 916 3051.00 7.635 194 3048.99 7.630 1000 3042.03 7.612 517 3040.38 7.608 535 3025.91 7.572 418 2641.63 6.610 521 2625.69 6.570 464
in DMSO-d6
KBr disc
nujol mull
