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1.alpha.,10.alpha.-Dichloro-1,10-dihydro-14-methoxyacchillin
SpectraBase Compound ID EnEZyjDATpV
InChI InChI=1S/C16H20Cl2O4/c1-8-6-11(19)16(18)12(8)13-10(9(2)14(20)22-13)4-5-15(16,17)7-21-3/h6,9-10,12-13H,4-5,7H2,1-3H3/t9-,10+,12-,13+,15+,16+/m1/s1
InChIKey QNPCIGZZANPBMS-JPQOLPIRSA-N
Mol Weight 347.24 g/mol
Molecular Formula C16H20Cl2O4
Exact Mass 346.073865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfyDG96B8Zi
Name 1.alpha.,10.alpha.-Dichloro-1,10-dihydro-14-methoxyacchillin
Alternate Name(s) (3aS,6S,6aR,9aR,9bS)-6,6a-dichloro-6-(methoxymethyl)-3,9-dimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione
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Formula C16H20Cl2O4
InChI InChI=1S/C16H20Cl2O4/c1-8-6-11(19)16(18)12(8)13-10(9(2)14(20)22-13)4-5-15(16,17)7-21-3/h6,9-10,12-13H,4-5,7H2,1-3H3/t9-,10+,12-,13+,15+,16+/m1/s1
InChIKey QNPCIGZZANPBMS-JPQOLPIRSA-N
Molecular Weight 347.238 g/mol
SMILES [C@]12([C@@]([C@]3(OC(=O)[C@@]([C@@]3(CC[C@]1(Cl)COC)[H])(C)[H])[H])(C(C)=CC2=O)[H])Cl
SPLASH splash10-004i-1090000000-e6a0f843668191c3eb2e
Source of Spectrum QF-49-1627-5
Wiley ID 834238