2,3-DICHLOROBUTANE(7581-97-7) 1H NMR
Product Name2,3-DICHLOROBUTANE
CAS7581-97-7
Molecular FormulaC4H8Cl2
Molecular Weight127.01
InChIInChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3
InChIKey RMISVOPUIFJTEO-UHFFFAOYSA-N
SmilesCC(Cl)C(Cl)C
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MassMS-NW-4364 2,3-dichlorobutane C4H8Cl2 (Mass of molecular ion: 126)
Source Temperature: 230 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.2 26.0 5.4 27.0 40.4 28.0 3.5 29.0 10.7 36.0 1.9 37.0 1.5 38.0 2.5 39.0 16.4 40.0 1.4 41.0 7.9 43.0 1.2 49.0 4.6 50.0 4.0 51.0 4.1 52.0 1.2 53.0 8.1 54.0 2.6 55.0 44.2 56.0 4.3 61.0 2.6 62.0 98.7 63.0 100.0 64.0 33.7 65.0 35.4 75.0 9.2 77.0 3.0 83.0 1.1 89.0 5.3 90.0 29.3 91.0 9.3 92.0 10.0 93.0 2.8 96.0 1.3 97.0 3.5 99.0 2.3 125.0 1.4 126.0 1.8 127.0 1.0 128.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 Cl2 0.05 ml : 0.5 ml CDCl3 2,3-dichlorobutane 
Assign. Shift(ppm)
A 4.214 A 4.065 B 1.610 B 1.567 MIXTURE OF ROTATIONAL ISOMERS.
Hz ppm Int.1692.87 4.236 54 1689.58 4.228 56 1688.84 4.226 51 1687.62 4.223 110 1686.28 4.220 100 1682.25 4.210 103 1680.91 4.206 108 1679.69 4.203 49 1678.96 4.202 52 1675.66 4.193 52 1634.52 4.090 46 1632.57 4.085 147 1629.88 4.079 89 1628.05 4.074 216 1626.22 4.070 217 1623.54 4.063 216 1621.70 4.058 212 1619.87 4.054 83 1617.19 4.047 144 656.37 1.643 55 652.34 1.633 187 647.71 1.621 1000 645.75 1.616 533 642.94 1.609 559 641.24 1.605 920 636.35 1.593 140 634.52 1.588 50 631.23 1.580 154 629.03 1.574 593 628.05 1.572 297 623.66 1.561 292 622.56 1.558 580 620.36 1.553 144
in CDCl3
liquid film
4880 A,200 M,liquid
