1,4-DIBROMO-2-BUTANOL(19398-47-1) MS
Product Name1,4-DIBROMO-2-BUTANOL
CAS19398-47-1
Molecular FormulaC4H8Br2O
Molecular Weight231.91
InChIInChI=1S/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H2
InChIKey PSSRAPMBSMSACN-UHFFFAOYSA-N
SmilesC(Br)C(O)CCBr
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MassMS-NW-5436 1,4-dibromo-2-butanol C4H8Br2O (Mass of molecular ion: 230)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.4 15.0 16.0 18.0 2.8 26.0 7.3 27.0 39.2 28.0 10.4 29.0 65.0 30.0 2.0 31.0 16.0 37.0 1.0 38.0 1.8 39.0 10.2 40.0 1.2 41.0 12.5 42.0 7.4 43.0 64.9 44.0 10.5 45.0 1.7 50.0 1.9 51.0 2.4 53.0 13.8 54.0 1.7 55.0 3.6 57.0 32.0 58.0 1.6 70.0 1.2 71.0 14.9 79.0 2.4 80.0 4.0 81.0 3.4 82.0 3.8 83.0 1.0 93.0 6.4 94.0 2.4 95.0 5.9 96.0 2.1 105.0 1.2 107.0 6.1 108.0 1.0 109.0 6.8 111.0 1.8 121.0 3.5 122.0 1.5 123.0 64.1 124.0 2.6 125.0 59.5 126.0 1.5 133.0 6.4 135.0 6.1 136.0 7.4 137.0 100.0 138.0 10.4 139.0 96.1 140.0 3.6 150.0 5.8 151.0 5.9 152.0 6.1 153.0 5.7 202.0 1.2 204.0 2.2 206.0 1.1 213.0 1.8 215.0 3.3 217.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 Br2 O 0.05 ml : 0.5 ml CDCl3 1,4-dibromo-2-butanol 
Assign. Shift(ppm)
A 4.066 B *1 3.56 C *1 3.444 D 3.18 E 2.09
Hz ppm Int.1636.72 4.096 83 1632.93 4.086 146 1630.00 4.079 123 1628.42 4.075 157 1626.34 4.070 178 1624.51 4.065 184 1621.95 4.059 161 1620.73 4.056 129 1617.92 4.049 166 1614.14 4.039 97 1440.19 3.604 116 1435.91 3.593 302 1432.01 3.584 440 1430.05 3.579 390 1428.22 3.574 631 1421.51 3.557 1000 1417.85 3.548 607 1416.75 3.545 419 1412.60 3.535 140 1411.50 3.532 147 1406.37 3.520 87 1384.16 3.464 464 1377.56 3.447 448 1373.66 3.438 329 1367.07 3.421 310 1271.85 3.183 885 857.30 2.146 66 851.93 2.132 59 848.27 2.123 183 843.02 2.110 248 839.97 2.102 322 837.28 2.096 193 835.82 2.092 239 833.86 2.087 353 831.30 2.081 196 829.59 2.076 247 828.74 2.074 231 827.39 2.071 205 825.07 2.065 187 821.04 2.055 181 819.21 2.050 76 816.77 2.044 62 810.42 2.028 54
in CDCl3
liquid film
