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2,6-endo-8,12-exo-3,5-Dioxo-10-phenylmethylene-4-oxa-9,11-dithiatetracyclo[5.5.1.0(2,6).0(8,12)]tridecane
SpectraBase Compound ID LDGuH5ATYt
InChI InChI=1S/C17H14O3S2/c18-16-12-9-7-10(13(12)17(19)20-16)15-14(9)21-11(22-15)6-8-4-2-1-3-5-8/h1-6,9-10,12-15H,7H2/b11-6-/t9-,10+,12?,13+,14-,15+/m1/s1
InChIKey AYXITQSUQPDSAU-NXAWQXJASA-N
Mol Weight 330.42 g/mol
Molecular Formula C17H14O3S2
Exact Mass 330.038437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dZYTr9ojEL
Name 2,6-endo-8,12-exo-3,5-Dioxo-10-phenylmethylene-4-oxa-9,11-dithiatetracyclo[5.5.1.0(2,6).0(8,12)]tridecane
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Formula C17H14O3S2
InChI InChI=1S/C17H14O3S2/c18-16-12-9-7-10(13(12)17(19)20-16)15-14(9)21-11(22-15)6-8-4-2-1-3-5-8/h1-6,9-10,12-15H,7H2/b11-6-/t9-,10+,12?,13+,14-,15+/m1/s1
InChIKey AYXITQSUQPDSAU-NXAWQXJASA-N
Molecular Weight 330.416 g/mol
SMILES [C@]12(C(C(=O)OC2=O)[C@]2(C[C@@]1([C@]1([C@@]2(S\C(S1)=C\c1ccccc1)[H])[H])[H])[H])[H]
SPLASH splash10-001i-0309000000-dd3db7b8417d5738bc7a
Source of Spectrum F-53-3367-15
Synonyms 2,6-exo-8,12-exo-3,5-Dioxo-10-phenylmethylene-4-oxa-9,11-dithiatetracyclo[5.5.1.0(2,6).0(8,12)]tridecane 4-Benzylidene-10-oxa-3,5-dithiatetracyclo[5.5.1.0(2,6).0(8,12)]tridecane-9,11-dione
Wiley ID 800591