2-Bromoanisole(578-57-4) 13C NMR
Product Name2-Bromoanisole
CAS578-57-4
Molecular FormulaC7H7BrO
Molecular Weight187.03
InChIInChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey HTDQSWDEWGSAMN-UHFFFAOYSA-N
SmilesC1(Br)=CC=CC=C1OC
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MassMS-NW-8352 o-bromoanisole C7H7BrO (Mass of molecular ion: 186)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.7 27.0 1.0 28.0 1.2 29.0 1.0 37.0 3.1 38.0 7.5 39.0 5.8 49.0 1.0 50.0 10.2 51.0 11.6 52.0 1.2 53.0 2.5 61.0 2.1 62.0 5.1 63.0 21.9 64.0 17.1 65.0 4.4 74.0 4.3 75.0 7.2 76.0 6.6 77.0 25.1 78.0 4.8 79.0 8.1 92.0 13.7 93.0 2.2 107.0 3.5 117.0 4.7 119.0 4.7 143.0 44.7 144.0 2.8 145.0 43.4 146.0 2.5 155.0 2.4 156.0 2.1 157.0 2.8 158.0 2.1 171.0 34.1 172.0 7.1 173.0 33.4 174.0 6.4 186.0 100.0 187.0 8.0 188.0 97.7 189.0 7.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 Br O 10.7 mol% in CDCl3 o-bromoanisole 
Assign. Shift(ppm)
A 7.49 B 6.69 to 6.92 C 7.22 D 3.845
Hz ppm Int.677.13 7.561 62 676.50 7.554 60 675.44 7.542 93 675.13 7.539 88 669.75 7.479 64 669.13 7.472 81 667.69 7.456 113 656.88 7.335 45 655.19 7.316 45 650.00 7.258 54 648.25 7.239 87 646.88 7.223 77 641.38 7.162 103 639.69 7.143 90 617.19 6.892 116 616.00 6.879 151 614.44 6.861 32 610.06 6.812 53 609.13 6.802 140 608.63 6.796 156 607.56 6.784 56 607.06 6.779 64 601.38 6.715 60 599.81 6.698 48 343.88 3.840 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
