1,1,2,3,3-Pentachloropropane(15104-61-7) MS
Product Name1,1,2,3,3-Pentachloropropane
CAS15104-61-7
Molecular FormulaC3H3Cl5
Molecular Weight216.32
InChIInChI=1S/C3H3Cl5/c4-1(2(5)6)3(7)8/h1-3H
InChIKey PANVCEBTPSTUEL-UHFFFAOYSA-N
SmilesC(Cl)(Cl)C(Cl)C(Cl)Cl
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MassMS-NW-4397 1,1,2,3,3-pentachloropropane C3H3Cl5 (Mass of molecular ion: 214)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 3.4 35.0 3.3 36.0 4.0 37.0 6.3 38.0 6.1 39.0 4.5 47.0 4.8 48.0 3.8 49.0 8.0 50.0 1.3 51.0 2.4 54.0 1.1 60.0 2.9 61.0 6.2 62.0 1.0 63.0 2.2 71.0 1.2 72.0 3.8 73.0 9.6 74.0 1.4 75.0 3.0 82.0 1.5 83.0 77.2 84.0 1.7 85.0 49.4 87.0 7.6 95.0 12.6 96.0 100.0 97.0 11.0 98.0 66.0 99.0 3.2 100.0 10.7 107.0 2.1 109.0 5.4 111.0 2.8 131.0 11.3 132.0 1.1 133.0 10.3 135.0 3.5 143.0 68.5 144.0 2.5 145.0 65.1 146.0 2.5 147.0 20.7 149.0 2.4 179.0 1.5 181.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H3 Cl5 0.04 ml : 0.5 ml CDCl3 1,1,2,3,3-pentachloropropane 
Assign. Shift(ppm)
A 6.065 B 4.516
Hz ppm Int.546.13 6.098 909 540.56 6.036 1000 409.63 4.574 272 404.13 4.513 374 398.50 4.450 231
in CDCl3
liquid film
4880 A,200 M,liquid
