Product NameButane, 1,2,3,4-tetrachloro-, (2R,3R)-rel-
CAS52134-24-4
Molecular FormulaC4H6Cl4
Molecular Weight195.9
InChI
InChIKey
Smiles
Mass
MS-IW-1087 (+-)-1,2,3,4-tetrachlorobutane C4H6Cl4 (Mass of molecular ion: 194)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 2.7 27.0 10.4 36.0 2.3 38.0 1.6 39.0 8.8 49.0 16.2 50.0 3.6 51.0 14.7 52.0 1.6 53.0 6.9 54.0 2.6 60.0 1.0 61.0 23.8 62.0 76.3 63.0 10.8 64.0 24.2 65.0 1.1 73.0 2.4 75.0 13.4 77.0 4.1 83.0 23.1 85.0 15.4 87.0 21.1 88.0 2.0 89.0 7.3 96.0 13.6 97.0 30.4 98.0 9.4 99.0 19.3 100.0 1.9 101.0 3.1 109.0 100.0 110.0 4.0 111.0 64.2 112.0 2.6 113.0 10.5 122.0 17.6 123.0 97.2 124.0 15.9 125.0 62.1 126.0 4.8 127.0 10.2 145.0 2.6 147.0 2.5 158.0 23.5 159.0 1.7 160.0 22.9 161.0 1.5 162.0 7.4
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C4 H6 Cl4 | 0.035 g : 0.5 ml CDCl3 |
(+-)-1,2,3,4-tetrachlorobutane |
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Assign. Shift(ppm) |
Hz ppm Int.
1795.04 4.492 38 1794.68 4.491 38 1793.09 4.487 43 1790.89 4.482 85 1788.09 4.475 56 1787.11 4.472 54 1783.69 4.464 409 1781.98 4.459 870 1780.27 4.455 1000 1778.69 4.451 949 1776.86 4.447 454 1773.32 4.438 45 1772.46 4.436 56 1769.78 4.429 97 1767.70 4.424 38 1765.87 4.419 30 1673.71 4.188 35 1672.12 4.184 48 1664.67 4.166 581 1663.21 4.162 482 1662.35 4.160 470 1660.89 4.156 558 1652.34 4.135 818 1650.88 4.131 672 1650.02 4.129 655 1648.56 4.126 785 1641.11 4.107 42 1639.65 4.103 34 1610.96 4.031 35 1609.74 4.028 35 1607.91 4.024 39 1605.71 4.018 43 1598.02 3.999 941 1596.92 3.996 753 1596.07 3.994 774 1595.21 3.992 842 1590.82 3.981 40 1590.21 3.980 40 1585.69 3.968 596 1584.84 3.966 552 1583.98 3.964 541 1582.89 3.961 678
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
Butane, 1,2,3,4-tetrachloro-, (2R,3R)-rel-(52134-24-4) 13C NMR Atlas of Related Products
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