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Tricyclo[5.3.1.1(2,6)]dodeca-3,9-dien-11-one, 12-(acetyloxy)-4,5,8,9-tetrachloro-, (1.alpha.,2.beta.,5.beta.,6.beta.,7.alpha.,8.alpha.,12R*)-
SpectraBase Compound ID 7RwP85tQkn7
InChI InChI=1S/C14H12Cl4O3/c1-4(19)21-14-6-3-8(16)12(18)10(14)9-11(17)7(15)2-5(6)13(9)20/h2-3,5-6,9-12,14H,1H3/t5-,6+,9-,10+,11+,12+,14-/m1/s1
InChIKey NJDQYRRQBVACKI-SAXIAKQGSA-N
Mol Weight 370.1 g/mol
Molecular Formula C14H12Cl4O3
Exact Mass 367.954055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Jcnzxnl1xZ
Name Tricyclo[5.3.1.1(2,6)]dodeca-3,9-dien-11-one, 12-(acetyloxy)-4,5,8,9-tetrachloro-, (1.alpha.,2.beta.,5.beta.,6.beta.,7.alpha.,8.alpha.,12R*)-
CAS Registry Number 83098-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12Cl4O3
InChI InChI=1S/C14H12Cl4O3/c1-4(19)21-14-6-3-8(16)12(18)10(14)9-11(17)7(15)2-5(6)13(9)20/h2-3,5-6,9-12,14H,1H3/t5-,6+,9-,10+,11+,12+,14-/m1/s1
InChIKey NJDQYRRQBVACKI-SAXIAKQGSA-N
Molecular Weight 370.059 g/mol
SMILES [C@]12([C@@]3([C@@](OC(=O)C)([H])[C@]([C@@](C2=O)([H])C=C([C@@]1(Cl)[H])Cl)(C=C([C@@]3(Cl)[H])Cl)[H])[H])[H]
SPLASH splash10-01t9-7961000000-d1962a8ad3e750de912a
Source of Spectrum H-65-1006-0
Synonyms (1R,2S,5R,6S,7R,8R,11R)-4,5,8,9-tetrachloro-12-oxotricyclo[5.3.1.1(2,6)]dodeca-3,9-dien-11-yl acetate [anti11,12, syn4,12-4,4,9,10exo-tetrachloro-12-oxotetracyclo[5.3.1.1(2,6).0(3,5)]dodec-8-en-11endo-yl]ester of acetic acid [anti11,12-3exo,4,9,10exo-tetrachloro-12-oxotricyclo[5.3.1.1(2,6)]dodeca-4,8-dien-11endo-yl]ester of acetic acid [anti11,12-4,5exo,9,10exo-tetrachloro-12-oxotricyclo[5.3.1.1(2,6)]dodeca-3,8-dien-11endo-yl]ester of acetic acid
Wiley ID 1352763