1,3-DICHLOROBUTANE(1190-22-3) IR1
Product Name1,3-DICHLOROBUTANE
CAS1190-22-3
Molecular FormulaC4H8Cl2
Molecular Weight127.01
InChIInChI=1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3
InChIKey QBGVARBIQGHVKR-UHFFFAOYSA-N
SmilesC(Cl)CC(Cl)C
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MassMS-NW-4374 1,3-dichlorobutane C4H8Cl2 (Mass of molecular ion: 126)
Source Temperature: 220 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 3.1 27.0 23.5 28.0 2.9 29.0 10.8 36.0 1.2 38.0 1.1 39.0 9.3 39.5 1.2 41.0 9.5 41.5 1.0 42.0 2.0 49.0 5.4 50.0 1.3 51.0 1.8 53.0 4.5 54.0 10.9 55.0 100.0 56.0 4.9 61.0 1.0 62.0 7.4 63.0 21.0 64.0 2.7 65.0 6.1 75.0 8.9 77.0 4.0 90.0 29.6 91.0 5.5 92.0 9.7 93.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H8 Cl2 0.02 ml : 0.5 ml CDCl3 1,3-dichlorobutane 
Assign. Shift(ppm)
A 4.25 B 3.696 C 2.123 D 1.561
Hz ppm Int.384.81 4.297 93 378.06 4.222 96 338.81 3.784 100 337.13 3.765 96 331.38 3.701 324 330.75 3.694 138 325.38 3.634 247 325.06 3.630 234 199.38 2.227 119 193.31 2.159 200 192.56 2.151 167 187.25 2.091 143 186.25 2.080 201 180.31 2.014 87 179.94 2.010 81 143.13 1.599 1000 136.50 1.525 940
in CDCl3
liquid film
4880 A,200 M,liquid
