1,4-DICHLORO-2-BUTANOL(2419-74-1) MS
Product Name1,4-DICHLORO-2-BUTANOL
CAS2419-74-1
Molecular FormulaC4H8Cl2O
Molecular Weight143.01
InChIInChI=1S/C4H8Cl2O/c5-2-1-4(7)3-6/h4,7H,1-3H2
InChIKey CKNNDWZSFAPUJS-UHFFFAOYSA-N
SmilesC(Cl)C(O)CCCl
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MassMS-IW-4923 1,4-dichloro-2-butanol C4H8Cl2O (Mass of molecular ion: 142)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 4.0 26.0 1.9 27.0 10.6 28.0 6.9 29.0 41.5 30.0 1.1 31.0 9.0 36.0 1.7 39.0 3.3 41.0 4.2 42.0 2.8 43.0 20.4 44.0 1.9 49.0 6.5 50.0 3.4 51.0 2.5 52.0 1.0 53.0 2.5 55.0 1.6 57.0 14.6 58.0 1.0 62.0 1.1 63.0 3.3 65.0 2.9 71.0 2.5 75.0 2.1 76.0 2.9 77.0 7.7 78.0 5.1 79.0 36.1 80.0 2.1 81.0 10.9 89.0 1.2 93.0 100.0 94.0 3.9 95.0 36.3 96.0 1.2 106.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 Cl2 O 0.05 ml : 0.5 ml CDCl3 1,4-dichloro-2-butanol 
Assign. Shift(ppm)
A 4.096 B *1 3.74 C *1 3.70 D *2 3.661 E *2 3.544 F 2.97 G *3 1.99 J *3 1.96 ASSIGNED BY C-H COSY. J(A,D)=3.8HZ J(A,E)=6.6HZ J(D,E)=-11.2HZ
Hz ppm Int.1648.68 4.126 81 1644.90 4.116 139 1642.09 4.109 114 1640.26 4.105 152 1638.31 4.100 166 1636.35 4.095 168 1633.67 4.088 163 1632.32 4.085 118 1629.76 4.078 159 1625.73 4.068 94 1508.79 3.776 113 1503.17 3.762 116 1500.37 3.755 95 1499.88 3.753 96 1497.80 3.748 282 1494.51 3.740 115 1492.07 3.734 319 1489.62 3.728 231 1489.01 3.726 230 1486.21 3.719 275 1483.64 3.713 314 1480.96 3.706 332 1480.22 3.704 358 1475.10 3.691 368 1472.05 3.684 370 1469.85 3.678 166 1468.38 3.675 373 1464.11 3.664 104 1460.82 3.656 531 1457.03 3.646 505 1424.44 3.565 515 1417.85 3.548 486 1413.21 3.537 349 1406.62 3.520 336 1186.16 2.968 1000 818.48 2.048 33 813.23 2.035 63 807.86 2.022 49 804.08 2.012 187 798.95 2.000 280 797.61 1.996 237 795.78 1.992 214 793.33 1.986 327 791.50 1.981 249 790.53 1.979 287 788.94 1.975 230 787.35 1.971 232 784.79 1.964 335 782.96 1.960 212 778.81 1.949 196 777.10 1.945 72 774.29 1.938 56 772.83 1.934 39 770.26 1.928 39 768.31 1.923 54 764.28 1.913 38
in CDCl3
liquid film
