2,4-DIBROMO-1-NAPHTHOL(2050-49-9) MS
Product Name2,4-DIBROMO-1-NAPHTHOL
CAS2050-49-9
Molecular FormulaC10H6Br2O
Molecular Weight301.96
InChIInChI=1S/C10H6Br2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,13H
InChIKey PSGUDVJPEWTBRM-UHFFFAOYSA-N
SmilesC1(O)=C2C(C=CC=C2)=C(Br)C=C1Br
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MassMS-NW-2391 2,4-dibromo-1-naphthol C10H6Br2O (Mass of molecular ion: 300)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 2.5 18.0 12.2 27.0 1.2 28.0 2.3 29.0 1.0 37.0 3.0 38.0 3.0 39.0 8.5 43.0 2.3 44.0 1.2 49.0 1.5 50.0 5.3 51.0 3.7 53.0 2.9 55.0 4.6 55.5 2.6 56.0 13.7 56.5 9.9 57.0 11.6 57.5 2.2 61.0 6.4 62.0 13.6 63.0 25.7 64.0 4.0 71.0 5.1 73.0 2.5 74.0 9.5 75.0 5.4 77.0 1.3 79.0 1.4 80.0 1.8 81.0 1.3 82.0 1.8 84.0 1.2 85.0 5.0 86.0 13.8 87.0 16.3 88.0 13.7 89.0 2.5 96.0 6.7 96.5 17.0 97.0 7.9 97.5 16.1 98.0 3.4 99.0 1.3 109.0 1.7 110.0 4.3 111.0 3.3 112.0 3.8 113.0 89.5 114.0 52.3 115.0 10.3 116.0 1.1 137.0 1.1 141.0 4.1 142.0 20.9 143.0 2.6 150.0 2.9 151.0 5.6 152.0 2.8 165.0 1.3 167.0 1.3 191.0 1.4 192.0 29.5 193.0 61.5 194.0 33.4 195.0 57.3 196.0 5.6 220.0 1.6 221.0 3.5 222.0 6.6 223.0 3.5 224.0 4.1 271.0 2.0 273.0 4.0 275.0 1.7 300.0 51.9 301.0 6.3 302.0 100.0 303.0 11.1 304.0 47.0 305.0 5.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H6 Br2 O 0.048 g : 0.5 ml CDCl3 2,4-dibromo-1-naphthol 
Assign. Shift(ppm)
A 8.22 B 8.12 C 7.764 D *1 7.60 E *1 7.53 F 5.93
Hz ppm Int.742.06 8.286 125 741.38 8.279 147 739.94 8.262 126 737.19 8.232 87 735.69 8.215 136 734.38 8.200 159 732.31 8.177 196 731.63 8.170 296 731.06 8.163 141 729.13 8.142 143 727.81 8.127 115 726.06 8.107 78 725.31 8.099 67 723.25 8.076 134 721.94 8.061 188 721.25 8.054 154 695.38 7.765 1000 688.25 7.685 118 683.50 7.632 305 681.44 7.609 442 677.56 7.566 459 673.56 7.521 319 671.88 7.503 177 530.63 5.925 843
in CDCl3
KBr disc
nujol mull
