2-METHYLNAPHTHALENE-BIS(HEXACHLOROCYCLOPENTADIENE) ADDUCT(4605-91-8) MS
Molecular FormulaC21H10Cl12
Molecular Weight687.74
InChIInChI=1/C21H10Cl12/c1-5-2-3-6-7(4-5)9-11(19(29)15(25)13(23)17(9,27)21(19,32)33)10-8(6)16(26)12(22)14(24)18(10,28)20(16,30)31/h2-4,8-11H,1H3/t8-,9-,10-,11-,16-,17-,18+,19+/s3
InChIKey IBGAOSYQYASNKV-CSTDLGQBNA-N
Smiles[C@]12(Cl)C(Cl)(Cl)[C@](Cl)([C@]3([H])[C@@]1([H])C1=C(C=C(C)C=C1)[C@]1([H])[C@@]3([H])[C@@]3(Cl)C(Cl)(Cl)[C@]1(Cl)C(Cl)=C3Cl)C(Cl)=C2Cl |&1:0,5,7,9,18,20,22,27,r|
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MassMS-NW-8519 2-methylnaphthalene-bis(hexachlorocyclopentadiene) adduct C21H10Cl12 (Mass of molecular ion: 682)
Source Temperature: 220 °C Sample Temperature: 140 °C Direct, 75 eV
115.0 2.4 141.0 10.3 142.0 100.0 143.0 12.0 237.0 1.0 414.0 1.4 416.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C21 H10 Cl12 0.046 g : 0.5 ml CDCl3 2-methylnaphthalene-bis(hexachlorocyclopentadiene) adduct 
Assign. Shift(ppm)
A 7.57 B 7.51 C 7.08 D 3.93 E 3.52 F 2.343
Hz ppm Int.683.31 7.630 157 674.94 7.537 260 673.50 7.521 217 672.94 7.514 226 672.56 7.510 221 672.19 7.506 225 638.56 7.130 118 638.19 7.126 117 637.75 7.121 115 636.88 7.112 119 630.69 7.043 90 630.25 7.038 89 629.38 7.028 84 629.06 7.024 89 357.88 3.996 172 357.44 3.992 166 348.50 3.892 281 319.56 3.569 249 318.50 3.557 586 309.63 3.458 357 308.50 3.445 157 209.94 2.345 1000
KBr disc
nujol mull
