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(1.alpha.,2.beta.,4.beta.,5.beta.,7.beta.,9.alpha.)-3,3,6,6,10,10-hexachlorotetracyclo[7.1.0.0(2,4).0(5,7)]-decan-8-one
SpectraBase Compound ID D7Cykt6zIhz
InChI InChI=1S/C10H6Cl6O/c11-8(12)1-2(8)4-6(10(4,15)16)7(17)5-3(1)9(5,13)14/h1-6H/t1-,2+,3-,4-,5-,6-/m0/s1
InChIKey TYWWUFNBWVGIBF-PQRKRRIQSA-N
Mol Weight 354.9 g/mol
Molecular Formula C10H6Cl6O
Exact Mass 351.854981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97GLpcxrz71
Name (1.alpha.,2.beta.,4.beta.,5.beta.,7.beta.,9.alpha.)-3,3,6,6,10,10-hexachlorotetracyclo[7.1.0.0(2,4).0(5,7)]-decan-8-one
CAS Registry Number 95721-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6Cl6O
InChI InChI=1S/C10H6Cl6O/c11-8(12)1-2(8)4-6(10(4,15)16)7(17)5-3(1)9(5,13)14/h1-6H/t1-,2+,3-,4-,5-,6-/m0/s1
InChIKey TYWWUFNBWVGIBF-PQRKRRIQSA-N
Molecular Weight 354.875 g/mol
SMILES [C@]12(C(Cl)(Cl)[C@]2([C@]2(C(Cl)(Cl)[C@@]2([H])[C@]2([C@@](C1=O)(C2(Cl)Cl)[H])[H])[H])[H])[H]
SPLASH splash10-00ds-4910000000-508909f8970fde112d1b
Source of Spectrum K-118-842-6
Synonyms (1S,2R,4S,5S,7S,9S)-3,3,6,6,10,10-hexachlorotetracyclo[7.1.0.0(2,4).0(5,7)]decan-8-one
Wiley ID 1342844