1,4-Dichlorobutane(110-56-5) 1H NMR
Product Name1,4-Dichlorobutane
CAS110-56-5
Molecular FormulaC4H8Cl2
Molecular Weight127.01
InChIInChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
InChIKey KJDRSWPQXHESDQ-UHFFFAOYSA-N
SmilesC(Cl)CCCCl
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MassMS-NW-0819 1,4-dichlorobutane C4H8Cl2 (Mass of molecular ion: 126)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.3 27.0 14.0 28.0 4.3 29.0 5.1 36.0 1.0 39.0 9.5 41.0 25.8 42.0 1.5 49.0 6.8 50.0 1.2 51.0 2.1 53.0 4.7 54.0 13.0 55.0 100.0 56.0 4.7 61.0 1.3 62.0 15.4 63.0 6.4 64.0 5.0 65.0 1.9 75.0 6.7 77.0 2.6 90.0 29.8 91.0 3.3 92.0 10.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 Cl2 0.05 ml : 0.5 ml CDCl3 1,4-dichlorobutane 
Assign. Shift(ppm)
A 3.584 B 1.944
Hz ppm Int.1438.60 3.600 486 1437.38 3.597 374 1436.16 3.594 344 1434.81 3.591 442 1433.59 3.588 486 1432.37 3.585 904 1431.15 3.582 474 1430.05 3.579 427 1428.59 3.575 330 1427.37 3.572 359 1426.15 3.569 479 783.33 1.961 451 780.52 1.954 469 778.32 1.948 376 777.22 1.945 1000 776.00 1.942 373 773.68 1.936 458 770.87 1.929 426
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
