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(3A-BETA,5A-ALPHA,6-BETA,9-BETA,9A-ALPHA)-1,4,5-TRICHLORO-2,3A,5A,6,7,8,9,9A-OCTAHYDRO-3A-METHOXY-6,9-METHANONAPHTO-[2,1-B]-FURAN-2-ONE
SpectraBase Compound ID LHBtjqrQ2RS
InChI InChI=1S/C14H13Cl3O3/c1-19-14-9(11(16)13(18)20-14)7-5-2-3-6(4-5)8(7)10(15)12(14)17/h5-8H,2-4H2,1H3/t5-,6+,7+,8-,14-/m1/s1
InChIKey LMRPKMKVJFMHGB-VEMKMUPFSA-N
Mol Weight 335.61 g/mol
Molecular Formula C14H13Cl3O3
Exact Mass 333.993027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxsBHPVSnEB
Name exo-(3a.beta.,5a.alpha.,6.beta.9.beta.,9a.alpha.)-1,4,5-trichloro-2,3a,5a,6,7,8,9,9a-octahydro-3a-methoxy-6,9-methanonaphtho[2,1-b]furan-2-one
Alternate Name(s) (1R,2S,7R,10R,11S)-4,8,9-trichloro-7-methoxy-6-oxatetracyclo[9.2.1.0(2,10).0(3,7)]tetradeca-3,8-dien-5-one
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Formula C14H13Cl3O3
InChI InChI=1S/C14H13Cl3O3/c1-19-14-9(11(16)13(18)20-14)7-5-2-3-6(4-5)8(7)10(15)12(14)17/h5-8H,2-4H2,1H3/t5-,6+,7+,8-,14-/m1/s1
InChIKey LMRPKMKVJFMHGB-VEMKMUPFSA-N
Molecular Weight 335.614 g/mol
SMILES [C@@]12(C([C@]3([C@]4(C[C@@]([C@]3(C(=C2Cl)Cl)[H])(CC4)[H])[H])[H])=C(Cl)C(O1)=O)OC
SPLASH splash10-0ldr-6049000000-54b19d6606b4a6c9a0f6
Source of Spectrum KC-0-2818-3
Wiley ID 829269