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Tetracyclo[5.3.1.1(2,6).0(3,5)]dodec-8-en-12-one, 4,4,9-trichloro-10,11-dihydroxy-, (1.alpha.,2.beta.,3.beta.,5.beta.,6.beta.,7.alpha.,10.alpha.,11S*)-
SpectraBase Compound ID KrCl264Rcfl
InChI InChI=1S/C12H11Cl3O3/c13-3-1-2-4-7-8(12(7,14)15)5(11(4)18)6(9(2)16)10(3)17/h1-2,4-10,16-17H/t2-,4-,5+,6+,7-,8+,9+,10+/m1/s1
InChIKey YJASYZHYGZRQPS-RELNYOERSA-N
Mol Weight 309.58 g/mol
Molecular Formula C12H11Cl3O3
Exact Mass 307.977377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUEMABehLol
Name Tetracyclo[5.3.1.1(2,6).0(3,5)]dodec-8-en-12-one, 4,4,9-trichloro-10,11-dihydroxy-, (1.alpha.,2.beta.,3.beta.,5.beta.,6.beta.,7.alpha.,10.alpha.,11S*)-
CAS Registry Number 83098-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11Cl3O3
InChI InChI=1S/C12H11Cl3O3/c13-3-1-2-4-7-8(12(7,14)15)5(11(4)18)6(9(2)16)10(3)17/h1-2,4-10,16-17H/t2-,4-,5+,6+,7-,8+,9+,10+/m1/s1
InChIKey YJASYZHYGZRQPS-RELNYOERSA-N
Molecular Weight 309.576 g/mol
SMILES O[C@@]1([C@]2([C@]3([C@@]4(C([C@@]4([C@@]([C@]([C@@]2(O)[H])(C=C1Cl)[H])(C3=O)[H])[H])(Cl)Cl)[H])[H])[H])[H]
SPLASH splash10-056u-6930000000-7532aee3b86c8b2b048a
Source of Spectrum H-65-1006-0
Synonyms (1S,2R,3S,5R,6S,7R,10R,11S)-4,4,9-trichloro-10,11-dihydroxytetracyclo[5.3.1.1(2,6).0(3,5)]dodec-8-en-12-one Anti11,12, syn4,12-4,4,9-trichloro-10exo,11endo-dihydroxytetracyclo[5.3.1.1(2,6).0(3,5)]dodec-8-en-12-one
Wiley ID 1309355