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Tricyclo[5.3.1.1(2,6)]dodec-3-ene-11,12-dione, 4,5-dichloro-, (1.alpha.,2.beta.,5.beta.,6.beta.,7.alpha.)-
SpectraBase Compound ID GRZ7e6gpF4Y
InChI InChI=1S/C12H12Cl2O2/c13-8-4-7-5-2-1-3-6(11(5)15)9(10(8)14)12(7)16/h4-7,9-10H,1-3H2/t5-,6+,7-,9-,10+/m0/s1
InChIKey QOLPUJGYMYKIIX-GWUDXMQCSA-N
Mol Weight 259.13 g/mol
Molecular Formula C12H12Cl2O2
Exact Mass 258.021435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2A8dtI51AEc
Name Tricyclo[5.3.1.1(2,6)]dodec-3-ene-11,12-dione, 4,5-dichloro-, (1.alpha.,2.beta.,5.beta.,6.beta.,7.alpha.)-
CAS Registry Number 83098-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12Cl2O2
InChI InChI=1S/C12H12Cl2O2/c13-8-4-7-5-2-1-3-6(11(5)15)9(10(8)14)12(7)16/h4-7,9-10H,1-3H2/t5-,6+,7-,9-,10+/m0/s1
InChIKey QOLPUJGYMYKIIX-GWUDXMQCSA-N
Molecular Weight 259.132 g/mol
SMILES [C@@]12(C([C@@]([H])(C=C([C@]2(Cl)[H])Cl)[C@]2(C([C@@]1(CCC2)[H])=O)[H])=O)[H]
SPLASH splash10-052b-9680000000-be9393d3cb226060358b
Source of Spectrum H-65-1018-0
Synonyms (1R,2R,5S,6R,7S)-4,5-dichlorotricyclo[5.3.1.1(2,6)]dodec-3-ene-11,12-dione 11anti,12-4,5exo-dichlorotricyclo[5.3.1.1(2,6)]dodec-3-ene-11,12-dione
Wiley ID 1261367