2-Bromo-1-phenylpropane(2114-39-8) Raman
Product Name2-Bromo-1-phenylpropane
CAS2114-39-8
Molecular FormulaC9H11Br
Molecular Weight199.09
InChIInChI=1S/C9H11Br/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey NVYOCAOZCSNIHR-UHFFFAOYSA-N
SmilesC1(CC(Br)C)=CC=CC=C1
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MassMS-NW-9935 (+-)-(2-bromopropyl)benzene C9H11Br (Mass of molecular ion: 198)
Source Temperature: 200 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.6 39.0 4.6 41.0 5.5 50.0 2.1 51.0 5.3 52.0 1.2 57.5 2.3 58.0 1.8 63.0 2.6 65.0 5.6 77.0 3.9 78.0 2.9 79.0 1.3 89.0 2.1 90.0 1.0 91.0 100.0 92.0 8.8 103.0 2.1 104.0 2.1 105.0 2.3 115.0 3.8 117.0 6.3 118.0 4.4 119.0 35.4 120.0 3.6 198.0 13.6 199.0 1.4 200.0 13.2 201.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 Br 0.05 ml : 0.5 ml CDCl3 (+-)-(2-bromopropyl)benzene 
Assign. Shift(ppm)
A 7.24 B 4.278 C *1 3.18 D *1 3.05 E 1.665
Hz ppm Int.660.31 7.373 46 658.56 7.354 62 656.75 7.334 133 655.88 7.324 105 654.69 7.311 131 654.06 7.304 136 651.19 7.271 282 648.88 7.246 546 648.38 7.240 524 646.00 7.214 489 643.13 7.181 144 642.19 7.171 211 641.69 7.165 158 637.94 7.124 80 637.56 7.119 79 634.69 7.087 38 393.50 4.394 65 386.81 4.320 111 379.56 4.239 118 372.94 4.165 75 299.81 3.348 38 292.94 3.271 33 285.81 3.192 192 282.75 3.158 34 280.00 3.127 227 279.00 3.116 207 276.06 3.083 31 275.13 3.073 30 272.69 3.045 178 266.19 2.973 42 258.81 2.890 33 152.38 1.702 1000 150.31 1.679 71 145.75 1.628 945
in CDCl3
liquid film
