3-Bromophenol(591-20-8) 1H NMR
Product Name3-Bromophenol
CAS591-20-8
Molecular FormulaC6H5BrO
Molecular Weight173.01
InChIInChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey MNOJRWOWILAHAV-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(Br)=C1
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MassMS-NW-0856 m-bromophenol C6H5BrO (Mass of molecular ion: 172)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.9 26.0 1.0 28.0 3.0 31.0 1.1 32.0 2.7 37.0 4.4 38.0 8.7 39.0 20.9 46.0 5.4 49.0 1.4 50.0 4.6 51.0 1.6 53.0 5.5 61.0 3.9 62.0 6.4 63.0 14.6 64.0 8.6 65.0 56.3 66.0 3.7 74.0 2.9 75.0 2.1 86.0 5.2 87.0 4.9 92.0 2.2 93.0 41.3 94.0 3.4 117.0 2.0 119.0 1.9 143.0 3.1 145.0 2.7 172.0 100.0 173.0 6.9 174.0 97.5 175.0 6.5
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C6 H5 Br O 0.04 ml : 0.5 ml CDCl3 m-bromophenol 
Assign. Shift(ppm)
A 7.12 to 7.02 B 7.00 C 6.760 D 5.45 400MHZ : HSP-42-379
Hz ppm Int.638.75 7.133 65 636.56 7.108 570 635.88 7.101 341 634.38 7.084 432 632.00 7.057 698 631.00 7.046 1000 629.69 7.031 405 628.06 7.013 488 627.19 7.004 489 626.19 6.992 542 625.13 6.981 184 622.75 6.954 39 614.19 6.858 87 612.25 6.837 57 610.06 6.812 337 607.56 6.784 255 606.00 6.767 200 605.00 6.756 230 604.00 6.745 175 601.63 6.718 225 598.50 6.683 158 596.81 6.664 32 488.13 5.451 934
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1H NMR 399.65 MHz C6 H5 Br O 0.05 ml : 0.5 ml CDCl3 m-bromophenol Assign. Shift(ppm)
A 7.06 B 7.05 C 6.999 D 6.749 E 6.42
Hz ppm Int.2829.96 7.082 67 2829.47 7.080 70 2825.07 7.069 44 2822.02 7.062 619 2821.41 7.060 633 2819.34 7.055 519 2817.02 7.049 757 2815.80 7.046 1000 2812.87 7.039 101 2811.40 7.035 123 2808.72 7.028 45 2799.19 7.005 383 2798.58 7.003 383 2797.73 7.001 380 2797.00 6.999 505 2795.78 6.996 509 2794.68 6.993 341 2707.15 6.774 61 2704.96 6.769 60 2702.88 6.764 294 2700.44 6.758 291 2698.73 6.753 275 2698.00 6.751 296 2696.90 6.749 244 2694.95 6.744 262 2693.73 6.741 277 2691.28 6.735 261 2689.58 6.730 66 2686.77 6.723 45 2564.45 6.417 405
in CDCl3
liquid film
