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(2R)-5,6-Dimethoxy-dehydroiso-.alpha.-Lapachone
SpectraBase Compound ID 1kkR3su4n2J
InChI InChI=1S/C17H16O5/c1-8(2)12-7-10-14(18)13-9(15(19)16(10)22-12)5-6-11(20-3)17(13)21-4/h5-6,12H,1,7H2,2-4H3/t12-/m1/s1
InChIKey SZYYBUZZPYQANC-GFCCVEGCSA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ6ASysSAPt
Name (2R)-5,6-Dimethoxy-dehydroiso-.alpha.-Lapachone
Alternate Name(s) (2R)-5,6-dimethoxy-2-(1-methylethenyl)-2,3-dihydrobenzo[f]benzofuran-4,9-dione (2R)-2-isopropenyl-5,6-dimethoxy-2,3-dihydrobenzo[f]benzofuran-4,9-dione (2R)-5,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
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Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-8(2)12-7-10-14(18)13-9(15(19)16(10)22-12)5-6-11(20-3)17(13)21-4/h5-6,12H,1,7H2,2-4H3/t12-/m1/s1
InChIKey SZYYBUZZPYQANC-GFCCVEGCSA-N
Molecular Weight 300.310 g/mol
SMILES C12=C(C(=O)c3c(C2=O)c(c(cc3)OC)OC)O[C@](C1)(C(=C)C)[H]
SPLASH splash10-05ot-4890000000-3cfec70106ce4c47132e
Source of Spectrum X2-56-1505-2
Wiley ID 1605064