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Tricyclo[5.3.1.1(2,6)]dodeca-3,9-diene-11,12-diol, 4,5,9-trichloro-, 11-acetate, (1.alpha.,2.beta.,5.beta.,6.beta.,7.alpha.,11S*,12R*)-
SpectraBase Compound ID 7SDklnv1GuJ
InChI InChI=1S/C14H15Cl3O3/c1-5(18)20-14-8-2-6(15)3-9(14)11-12(17)10(16)4-7(8)13(11)19/h2,4,7-9,11-14,19H,3H2,1H3/t7-,8+,9-,11-,12-,13+,14+/m0/s1
InChIKey PCISVICGZIWJQI-DYVAAKBRSA-N
Mol Weight 337.63 g/mol
Molecular Formula C14H15Cl3O3
Exact Mass 336.008677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTtDGUMgUMx
Name Tricyclo[5.3.1.1(2,6)]dodeca-3,9-diene-11,12-diol, 4,5,9-trichloro-, 11-acetate, (1.alpha.,2.beta.,5.beta.,6.beta.,7.alpha.,11S*,12R*)-
CAS Registry Number 83098-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15Cl3O3
InChI InChI=1S/C14H15Cl3O3/c1-5(18)20-14-8-2-6(15)3-9(14)11-12(17)10(16)4-7(8)13(11)19/h2,4,7-9,11-14,19H,3H2,1H3/t7-,8+,9-,11-,12-,13+,14+/m0/s1
InChIKey PCISVICGZIWJQI-DYVAAKBRSA-N
Molecular Weight 337.630 g/mol
SMILES O[C@@]1([C@@]2([C@]3(C=C(C[C@@]([C@]1([C@](C(=C2)Cl)(Cl)[H])[H])([C@@]3(OC(=O)C)[H])[H])Cl)[H])[H])[H]
SPLASH splash10-004m-9760000000-c451f475b5be65a9c551
Source of Spectrum H-65-1014-0
Synonyms (1S,2R,5R,6R,7S,11S,12R)-4,5,9-trichloro-12-hydroxytricyclo[5.3.1.1(2,6)]dodeca-3,9-dien-11-yl acetate [11anti,12-3exo,4,9-trichloro-12endo-hydroxytricyclo[5.3.1.1(2,6)]dodeca-4,8-dien-11endo-yl]ester of acetic acid
Wiley ID 1332070