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4-ethyl-5-[4-(p-tolylsulfonyl)-1,3-dithiol-2-ylidene]-6-thioxo-dithiolo[3,4-b][1,4]thiazin-3-one
SpectraBase Compound ID KUffboCiqiE
InChI InChI=1S/C17H13NO3S7/c1-3-18-12-14(19)26-27-17(12)25-15(22)13(18)16-23-8-11(24-16)28(20,21)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChIKey KBPZQGKVBZWEAG-UHFFFAOYSA-N
Mol Weight 503.7 g/mol
Molecular Formula C17H13NO3S7
Exact Mass 502.894041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24LfX5UOd2q
Name 4-ethyl-5-[4-(p-tolylsulfonyl)-1,3-dithiol-2-ylidene]-6-thioxo-dithiolo[3,4-b][1,4]thiazin-3-one
Appearance Red solid
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Exact Mass 502.894041498 u
Formula C17H13NO3S7
InChI InChI=1S/C17H13NO3S7/c1-3-18-12-14(19)26-27-17(12)25-15(22)13(18)16-23-8-11(24-16)28(20,21)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChIKey KBPZQGKVBZWEAG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.619
Molecular Weight 503.715 g/mol
Reported Formula C17H13NO3S7
SMILES C1=2N(C(C(SC2SSC1=O)=S)=C1SC(=CS1)S(C1=CC=C(C=C1)C)(=O)=O)CC
SPLASH splash10-00fr-0000910000-c5361e715eeb8ace633f
Source of Spectrum ARK-2002-221-9 (DOI: 10.3998/ark.5550190.0003.619)
Wiley ID 1904748