3-Phenoxypropyl bromide(588-63-6) Raman
Product Name3-Phenoxypropyl bromide
CAS588-63-6
Molecular FormulaC9H11BrO
Molecular Weight215.09
InChIInChI=1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey NIDWUZTTXGJFNN-UHFFFAOYSA-N
SmilesC1(OCCCBr)=CC=CC=C1
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MassMS-NW-5681 3-bromopropyl phenyl ether C9H11BrO (Mass of molecular ion: 214)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.2 28.0 1.6 38.0 1.7 39.0 9.7 40.0 1.9 41.0 18.7 42.0 1.5 50.0 2.1 51.0 6.1 55.0 1.2 63.0 2.3 64.0 1.2 65.0 7.8 66.0 7.4 77.0 12.4 78.0 1.9 79.0 1.9 91.0 1.1 94.0 100.0 95.0 7.8 107.0 4.5 121.0 4.4 123.0 4.1 134.0 1.4 135.0 5.5 214.0 16.5 215.0 1.9 216.0 16.5 217.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 Br O 0.04 ml : 0.5 ml CDCl3 3-bromopropyl phenyl ether 
Assign. Shift(ppm)
A 7.27 B 6.94 C 6.90 D 4.089 E 3.585 F 2.307
Hz ppm Int.661.06 7.382 166 660.00 7.370 173 658.13 7.349 111 654.56 7.309 127 653.88 7.302 230 652.50 7.286 381 650.63 7.265 161 647.56 7.231 217 647.19 7.227 191 645.44 7.207 369 645.06 7.203 396 644.31 7.195 370 629.88 7.034 104 628.88 7.022 164 628.38 7.017 209 627.38 7.006 271 624.19 6.970 146 622.06 6.946 880 621.00 6.934 414 620.00 6.923 394 615.31 6.871 205 613.69 6.853 395 612.75 6.842 318 372.31 4.158 496 366.50 4.093 973 360.69 4.028 547 328.19 3.665 403 321.69 3.592 1000 315.38 3.522 614 218.69 2.442 109 218.13 2.436 126 212.63 2.375 364 212.13 2.369 365 206.13 2.302 476 200.13 2.235 302
in CDCl3
liquid film
4880 A,200 M,liquid
