2,2,2-Tribromoethanol(75-80-9) MS
Product Name2,2,2-Tribromoethanol
CAS75-80-9
Molecular FormulaC2H3Br3O
Molecular Weight282.76
InChIInChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2
InChIKey YFDSDPIBEUFTMI-UHFFFAOYSA-N
SmilesC(O)C(Br)(Br)Br
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MassMS-IW-4895 2,2,2-tribromoethanol C2H3Br3O (Mass of molecular ion: 280)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 4.4 15.0 4.5 18.0 1.4 25.0 1.9 26.0 7.5 28.0 2.3 29.0 8.7 30.0 1.1 31.0 78.1 41.0 3.5 42.0 14.4 43.0 11.9 44.0 1.8 79.0 13.6 80.0 10.3 81.0 13.7 82.0 10.2 91.0 11.5 92.0 8.3 93.0 58.9 94.0 9.9 95.0 47.9 96.0 1.8 104.0 2.8 105.0 5.0 106.0 2.8 107.0 4.8 120.0 2.4 121.0 63.1 122.0 8.5 123.0 62.5 124.0 6.0 160.0 1.9 170.0 7.9 171.0 6.0 172.0 17.8 173.0 12.0 174.0 12.1 175.0 6.3 176.0 2.3 184.0 1.2 186.0 2.4 188.0 1.1 200.0 1.6 201.0 51.8 202.0 4.1 203.0 100.0 204.0 3.6 205.0 48.8 206.0 1.1 249.0 2.6 251.0 7.6 252.0 1.8 253.0 7.5 254.0 1.7 255.0 2.5
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C2 H3 Br3 O 0.039 g : 0.5 ml CDCl3 2,2,2-tribromoethanol 
Assign. Shift(ppm)
A 4.283 B 3.11
Hz ppm Int.1715.94 4.294 966 1712.40 4.285 25 1708.13 4.275 1000 1250.12 3.129 254 1242.31 3.109 503 1234.38 3.089 238
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1H NMR 89.56 MHz C2 H3 Br3 O 0.039 g : 0.5 ml CDCl3 2,2,2-tribromoethanol Assign. Shift(ppm)
A 4.26 B 3.1
Hz ppm Int.381.81 4.264 1000 276.31 3.086 259
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
