5696-92-4

NAPHTHALENE-BIS(HEXACHLOROCYCLOPENTADIENE) ADDUCT(5696-92-4) IR1

Product NameNAPHTHALENE-BIS(HEXACHLOROCYCLOPENTADIENE) ADDUCT

Molecular FormulaC20H8Cl12

Molecular Weight673.71

InChIInChI=1S/C20H8Cl12/c21-11-13(23)17(27)9-7(15(11,25)19(17,29)30)5-3-1-2-4-6(5)8-10(9)18(28)14(24)12(22)16(8,26)20(18,31)32/h1-4,7-10H

InChIKey ULBZLTIPWBXWCY-UHFFFAOYSA-N

SmilesC12(Cl)C(Cl)(Cl)C(Cl)(C3C1C1=C(C=CC=C1)C1C3C3(Cl)C(Cl)(Cl)C1(Cl)C(Cl)=C3Cl)C(Cl)=C2Cl

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NAPHTHALENE-BIS(HEXACHLOROCYCLOPENTADIENE) ADDUCT(5696-92-4) IR1
Mass

MS-NW-9202          
naphthalene-bis(hexachlorocyclopentadiene) adduct
C20H8Cl12           (Mass of molecular ion:    668)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

     102.0       1.2
     127.0       1.8
     128.0     100.0
     129.0      11.1
     223.0       1.1
     235.0       1.2
     237.0       1.8
     239.0       1.1
     257.0       1.3

400 MHz in CDCl3

NAPHTHALENE-BIS(HEXACHLOROCYCLOPENTADIENE) ADDUCT(5696-92-4) IR1

¹H NMR	399.65 MHz
C₂₀ H₈ Cl₁₂	0.040 g : 0.5 ml CDCl₃
naphthalene-bis(hexachlorocyclopentadiene) adduct

    Assign.     Shift(ppm)

      A             7.713
      B             7.282
      C             3.988
      D             3.534

     Hz     ppm     Int.

   3090.45   7.733     70
   3087.40   7.726    355
   3086.91   7.725    358
   3083.86   7.717    335
   3081.30   7.710    349
   3078.13   7.703    376
   3077.64   7.701    388
   3074.46   7.693     67
   2918.82   7.304     81
   2915.16   7.295    621
   2911.62   7.286    416
   2909.06   7.280    410
   2905.76   7.271    563
   2903.32   7.265     49
   2901.49   7.261    435
   1598.75   4.001    525
   1589.84   3.979    571
   1417.85   3.548    336
   1416.75   3.545   1000
   1407.84   3.523    909
   1406.62   3.520    312

KBr disc

nujol mull

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