BROMOMETHYL 2-NAPHTHYL KETONE(613-54-7) 1H NMR
Product NameBROMOMETHYL 2-NAPHTHYL KETONE
CAS613-54-7
Molecular FormulaC12H9BrO
Molecular Weight249.1
InChIInChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKey YHXHHGDUANVQHE-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C2C(=C1)C=CC=C2)CBr
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MassMS-NW-7752 2-bromo-2'-acetonaphthone C12H9BrO (Mass of molecular ion: 248)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 1.6 50.0 2.9 51.0 3.6 57.5 2.6 62.0 2.3 63.0 4.4 63.5 2.1 70.5 1.3 74.0 4.0 75.0 4.9 76.0 3.1 77.0 7.3 77.5 1.4 86.0 1.4 87.0 2.0 89.0 1.1 98.0 1.5 99.0 1.2 100.0 1.1 101.0 4.8 115.0 6.4 126.0 10.6 127.0 44.3 128.0 5.3 139.0 4.0 140.0 1.6 141.0 15.0 142.0 2.1 155.0 100.0 156.0 12.3 157.0 1.0 170.0 1.0 248.0 16.2 249.0 2.4 250.0 16.3 251.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H9 Br O 0.034 g : 0.5 ml CDCl3 2-bromo-2'-acetonaphthone 
Assign. Shift(ppm)
A 8.492 B 8.010 C 7.963 D 7.901 E 7.875 F 7.621 G 7.569 J 4.568
Hz ppm Int.3394.78 8.495 104 3393.43 8.492 106 3207.28 8.026 85 3205.44 8.021 83 3198.61 8.004 121 3196.90 8.000 119 3187.01 7.975 68 3186.28 7.973 67 3178.96 7.955 74 3178.22 7.953 73 3177.61 7.951 60 3161.99 7.912 119 3153.08 7.890 105 3152.34 7.888 88 3151.61 7.886 70 3151.00 7.885 69 3143.55 7.866 72 3142.82 7.864 76 3054.81 7.644 47 3053.47 7.641 51 3047.85 7.627 86 3046.63 7.624 99 3045.29 7.620 47 3039.79 7.607 81 3038.33 7.603 72 3031.86 7.587 73 3030.40 7.583 79 3024.90 7.569 46 3023.68 7.566 91 3022.46 7.563 69 3016.85 7.549 40 3015.50 7.546 37 1825.81 4.569 1000
in CDCl3
KBr disc
nujol mull
