Quintozine(82-68-8) 1H NMR
Product NameQuintozine
CAS82-68-8
Molecular FormulaC6Cl5NO2
Molecular Weight295.33
InChIInChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
InChIKey LKPLKUMXSAEKID-UHFFFAOYSA-N
SmilesC1(Cl)=C([N+]([O-])=O)C(Cl)=C(Cl)C(Cl)=C1Cl
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MassMS-NW-8202 pentachloronitrobenzene C6Cl5NO2 (Mass of molecular ion: 293)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.1 28.0 1.8 30.0 52.5 35.0 1.9 36.0 5.6 46.0 2.4 47.0 5.4 49.0 1.8 60.0 4.5 63.0 1.4 71.0 11.8 72.0 6.1 73.0 3.5 83.0 2.3 85.0 1.0 86.0 2.0 88.5 1.9 89.5 1.8 94.0 1.2 95.0 5.6 96.0 1.1 97.0 2.1 106.0 6.5 107.0 23.0 108.0 5.9 109.0 7.3 110.0 1.1 117.0 3.8 118.0 13.4 119.0 4.1 120.0 8.5 121.0 2.7 122.0 1.5 130.0 4.6 132.0 3.5 141.0 8.1 142.0 44.7 143.0 11.2 144.0 28.2 145.0 4.1 146.0 4.6 165.0 8.1 167.0 7.8 169.0 2.5 177.0 26.2 178.0 1.8 179.0 25.3 180.0 1.8 181.0 8.4 200.0 2.0 202.0 2.6 204.0 1.3 212.0 50.4 213.0 3.7 214.0 64.6 215.0 4.7 216.0 31.6 217.0 2.3 218.0 7.0 228.0 9.2 230.0 13.2 232.0 7.8 234.0 2.4 235.0 51.6 236.0 3.3 237.0 81.4 238.0 4.7 239.0 51.5 240.0 3.0 241.0 16.6 242.0 1.0 243.0 2.8 247.0 53.6 248.0 3.7 249.0 85.1 250.0 5.8 251.0 54.0 252.0 3.8 253.0 17.3 254.0 1.2 255.0 2.7 260.0 1.0 263.0 23.9 264.0 1.8 265.0 37.9 266.0 2.6 267.0 24.1 268.0 1.6 269.0 7.7 271.0 1.3 277.0 2.0 279.0 3.1 281.0 2.1 282.0 24.0 283.0 2.4 284.0 45.7 285.0 3.2 286.0 36.7 287.0 2.4 288.0 15.8 289.0 1.1 290.0 3.9 293.0 63.1 294.0 4.5 295.0 100.0 296.0 7.0 297.0 63.4 298.0 4.5 299.0 20.3 300.0 1.4 301.0 3.3
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
