4-Nitrophenethyl bromide(5339-26-4) 1H NMR
Product Name4-Nitrophenethyl bromide
CAS5339-26-4
Molecular FormulaC8H8BrNO2
Molecular Weight230.06
InChIInChI=1S/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2
InChIKey NTURQZFFJDCTMZ-UHFFFAOYSA-N
SmilesC1(CCBr)=CC=C([N+]([O-])=O)C=C1
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MassMS-IW-6133 p-nitrophenethyl bromide C8H8BrNO2 (Mass of molecular ion: 229)
Source Temperature: 130 °C Sample Temperature: 90 °C Direct, 75 eV
27.0 2.9 30.0 8.4 38.0 1.6 39.0 6.0 50.0 9.9 51.0 13.7 52.0 4.1 53.0 1.7 62.0 2.8 63.0 9.1 64.0 2.5 65.0 4.1 74.0 4.9 75.0 5.2 76.0 6.2 77.0 34.1 78.0 31.1 79.0 2.2 89.0 8.8 90.0 9.1 91.0 12.1 92.0 7.6 93.0 1.1 101.0 1.6 102.0 8.7 103.0 32.7 104.0 39.7 105.0 3.8 106.0 18.1 107.0 1.6 119.0 4.5 120.0 13.8 121.0 1.4 136.0 50.6 137.0 4.1 149.0 9.0 150.0 100.0 151.0 9.5 183.0 6.5 185.0 6.3 213.0 1.7 215.0 1.7 229.0 98.8 230.0 9.4 231.0 97.1 232.0 9.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 Br N O2 0.041 g : 0.5 ml CDCl3 p-nitrophenethyl bromide 
Assign. Shift(ppm)
A 8.179 B 7.397 C 3.61 D 3.30
Hz ppm Int.739.94 8.262 60 737.50 8.235 557 735.44 8.212 184 730.75 8.160 191 728.63 8.136 717 727.19 8.120 61 726.31 8.110 95 668.94 7.470 72 668.44 7.464 49 666.63 7.444 615 666.06 7.438 412 664.44 7.419 179 659.81 7.368 146 657.69 7.344 479 655.81 7.323 49 655.31 7.317 57 332.81 3.717 203 331.00 3.696 248 326.50 3.646 242 325.00 3.629 350 324.19 3.620 1000 318.69 3.559 495 317.63 3.547 519 300.69 3.358 288 294.44 3.288 360 292.25 3.264 149 287.69 3.213 105 285.94 3.193 92
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
