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3,17-Dioxa-12,13-dimethoxy-8-thiatetracyclo[16.4.0.0(5,9).0(10,15)]docosanhexadecaene-4,16-dione
SpectraBase Compound ID KctgXzQD5Hv
InChI InChI=1S/C21H16O6S/c1-24-17-9-14-15(10-18(17)25-2)21(23)27-16-6-4-3-5-12(16)11-26-20(22)13-7-8-28-19(13)14/h3-10H,11H2,1-2H3
InChIKey HLFCGYPNRLLIIM-UHFFFAOYSA-N
Mol Weight 396.41 g/mol
Molecular Formula C21H16O6S
Exact Mass 396.066759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18CsS0WTAOM
Name 3,17-Dioxa-12,13-dimethoxy-8-thiatetracyclo[16.4.0.0(5,9).0(10,15)]docosanhexadecaene-4,16-dione
Comments Less than 3 mono-isotopic peaks
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Formula C21H16O6S
InChI InChI=1S/C21H16O6S/c1-24-17-9-14-15(10-18(17)25-2)21(23)27-16-6-4-3-5-12(16)11-26-20(22)13-7-8-28-19(13)14/h3-10H,11H2,1-2H3
InChIKey HLFCGYPNRLLIIM-UHFFFAOYSA-N
Molecular Weight 396.413 g/mol
SMILES c12c(-c3c(C(Oc4c(COC2=O)cccc4)=O)cc(c(c3)OC)OC)scc1
SPLASH splash10-004i-9001000000-0aa5ebe384be4a9b7455
Source of Spectrum H1-36-1874-3
Synonyms 2,3-dimethoxy-10H-dibenzo[b,i]thieno[3,2-g][1,5]dioxacycloundecin-8,16-dione
Wiley ID 755472