4-Bromophenylacetic acid(1878-68-8) MS
Product Name4-Bromophenylacetic acid
CAS1878-68-8
Molecular FormulaC8H7BrO2
Molecular Weight215.04
InChIInChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey QOWSWEBLNVACCL-UHFFFAOYSA-N
SmilesC1(CC(O)=O)=CC=C(Br)C=C1
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MassMS-NW-9373 p-bromophenylacetic acid C8H7BrO2 (Mass of molecular ion: 214)
Source Temperature: 170 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.4 28.0 1.0 38.0 2.2 39.0 6.3 43.0 1.4 44.0 2.0 45.0 3.2 50.0 4.1 51.0 4.1 61.0 1.5 62.0 4.5 63.0 11.4 64.0 3.6 65.0 2.7 67.5 1.0 74.0 1.4 75.0 1.2 77.0 3.5 78.0 1.7 79.0 1.6 84.5 1.9 85.5 1.8 86.0 1.3 87.0 1.1 89.0 21.7 90.0 32.0 91.0 21.5 92.0 1.6 169.0 100.0 170.0 8.3 171.0 97.6 172.0 8.2 214.0 57.0 215.0 5.1 216.0 56.1 217.0 5.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H7 Br O2 0.042 g : 0.5 ml CDCl3 p-bromophenylacetic acid 
Assign. Shift(ppm)
A 10.64 B 7.439 C 7.147 D 3.588
Hz ppm Int.952.84 10.640 74 674.02 7.526 41 671.72 7.501 383 669.67 7.478 141 665.22 7.428 171 663.09 7.404 697 660.86 7.379 107 645.57 7.209 77 643.35 7.184 559 641.13 7.159 151 636.77 7.110 105 635.14 7.092 266 634.63 7.087 314 632.84 7.067 35 632.41 7.062 37 321.37 3.589 1000
in CDCl3
KBr disc
nujol mull
