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3-Oxo-4-ethyl-5-(4,5-bis(5-hydroxymethyl-2-furoyl)-1,3-dithiol-2-ylidenyl)[1,2]dithiolo[3,4-b][1,4]thiazin-6-thione
SpectraBase Compound ID LfajiQogMi3
InChI InChI=1S/C22H15NO7S6/c1-2-23-13-19(28)35-36-22(13)34-20(31)14(23)21-32-17(15(26)11-5-3-9(7-24)29-11)18(33-21)16(27)12-6-4-10(8-25)30-12/h3-6,24-25H,2,7-8H2,1H3
InChIKey QBEJYKOGVNHGSF-UHFFFAOYSA-N
Mol Weight 597.7 g/mol
Molecular Formula C22H15NO7S6
Exact Mass 596.917279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOhMs94J9z0
Name 3-Oxo-4-ethyl-5-(4,5-bis(5-hydroxymethyl-2-furoyl)-1,3-dithiol-2-ylidenyl)[1,2]dithiolo[3,4-b][1,4]thiazin-6-thione
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Formula C22H15NO7S6
InChI InChI=1S/C22H15NO7S6/c1-2-23-13-19(28)35-36-22(13)34-20(31)14(23)21-32-17(15(26)11-5-3-9(7-24)29-11)18(33-21)16(27)12-6-4-10(8-25)30-12/h3-6,24-25H,2,7-8H2,1H3
InChIKey QBEJYKOGVNHGSF-UHFFFAOYSA-N
Molecular Weight 597.722 g/mol
SMILES OCc1oc(C(C2=C(C(c3oc(CO)cc3)=O)SC(S2)=C2N(C=3C(SSC3SC2=S)=O)CC)=O)cc1
SPLASH splash10-005l-0096040000-32c4380f2d450cf083af
Source of Spectrum J-67-6446-5
Synonyms 5-[4,5-bis[[5-(hydroxymethyl)-2-furanyl]-oxomethyl]-1,3-dithiol-2-ylidene]-4-ethyl-6-sulfanylidene-3-dithiolo[3,4-b][1,4]thiazinone 5-[4,5-bis[5-(hydroxymethyl)furan-2-carbonyl]-1,3-dithiol-2-ylidene]-4-ethyl-6-sulfanylidenedithiolo[3,4-b][1,4]thiazin-3-one 5-[4,5-bis[5-(hydroxymethyl)furan-2-carbonyl]-1,3-dithiol-2-ylidene]-4-ethyl-6-thioxo-dithiolo[3,4-b][1,4]thiazin-3-one 5-[4,5-bis[[5-(hydroxymethyl)furan-2-yl]carbonyl]-1,3-dithiol-2-ylidene]-4-ethyl-6-sulfanylidene-[1,2]dithiolo[3,4-b][1,4]thiazin-3-one
Wiley ID 1570788