Product NameTRANS-1,4-DICHLORO-2-BUTENE
CAS764-41-0
Molecular FormulaC4H6Cl2
Molecular Weight125
InChIInChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2
InChIKey FQDIANVAWVHZIR-UHFFFAOYSA-N
SmilesC(Cl)C=CCCl
Mass
MS-IW-2351 1,4-dichloro-2-butene C4H6Cl2 (Mass of molecular ion: 124)
Source Temperature: 200 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 5.7 27.0 25.0 28.0 2.9 35.0 1.2 36.0 3.0 37.0 1.9 38.0 3.1 39.0 24.0 40.0 1.1 41.0 3.9 43.0 1.6 49.0 9.2 50.0 8.0 51.0 16.2 52.0 4.3 53.0 55.0 54.0 15.3 55.0 1.4 57.0 2.0 61.0 4.1 62.0 26.2 63.0 3.9 64.0 8.4 71.0 1.2 73.0 2.0 75.0 100.0 76.0 4.0 77.0 37.4 78.0 1.3 83.0 1.2 85.0 1.1 87.0 4.4 88.0 34.4 89.0 53.5 90.0 13.7 91.0 17.2 109.0 8.4 111.0 5.6 113.0 1.0 123.0 3.0 124.0 16.7 125.0 2.6 126.0 10.5 128.0 1.7
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C4 H6 Cl2 | 0.05 ml : 0.5 ml CDCl3 |
1,4-dichloro-2-butene |
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Assign. Shift(ppm) |
Hz ppm Int.
2376.59 5.947 198 2374.88 5.943 334 2372.80 5.938 333 2371.09 5.933 468 2369.38 5.929 316 2367.31 5.924 318 2365.60 5.920 181 1642.58 4.111 46 1635.38 4.093 47 1629.15 4.077 1000 1627.44 4.073 635 1625.24 4.067 617 1623.54 4.063 958 1617.92 4.049 47
in CDCl3
liquid film
TRANS-1,4-DICHLORO-2-BUTENE(764-41-0) IR1 Atlas of Related Products