1-Bromo-4-propylbenzene(588-93-2) Raman
Product Name1-Bromo-4-propylbenzene
CAS588-93-2
Molecular FormulaC9H11Br
Molecular Weight199.09
InChIInChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChIKey NUPWGLKBGVNSJX-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(CCC)C=C1
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MassMS-IW-9538 1-bromo-4-propylbenzene C9H11Br (Mass of molecular ion: 198)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.7 38.0 1.3 39.0 6.0 41.0 3.3 50.0 4.3 51.0 7.0 52.0 1.0 57.0 1.2 57.5 1.6 58.0 1.7 62.0 2.0 63.0 6.6 64.0 2.2 65.0 2.2 74.0 1.6 75.0 2.6 76.0 2.0 77.0 5.6 78.0 1.4 89.0 13.2 90.0 21.5 91.0 11.9 102.0 1.6 103.0 2.2 104.0 1.9 115.0 3.0 116.0 1.0 117.0 2.4 118.0 1.0 119.0 6.4 169.0 100.0 170.0 8.2 171.0 97.7 172.0 7.9 198.0 26.3 199.0 2.7 200.0 25.6 201.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H11 Br 0.05 ml : 0.5 ml CDCl3 1-bromo-4-propylbenzene 
Assign. Shift(ppm)
A 7.360 B 7.012 C 2.505 D 1.589 E 0.906
Hz ppm Int.2948.36 7.378 94 2945.92 7.372 502 2943.97 7.367 190 2939.33 7.355 212 2937.50 7.351 549 2934.94 7.344 85 2808.59 7.028 98 2806.27 7.022 466 2804.20 7.017 174 2799.68 7.006 176 2797.73 7.001 408 2795.29 6.995 65 1008.67 2.524 262 1001.22 2.506 339 993.41 2.486 274 653.81 1.636 56 646.48 1.618 201 638.92 1.599 306 631.35 1.580 320 623.90 1.562 206 616.58 1.543 59 369.51 0.925 598 362.18 0.907 1000 354.74 0.888 533
in CDCl3
liquid film
