John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HAh7FNOTg8U SpectraBase Spectrum ID=6i6vJte7wzA

(accessed ).
4,5-Bis(p-benzoylsulfanyl)-4',5'-bis(methylsulfanyl)tetrathiafulvalene
SpectraBase Compound ID HAh7FNOTg8U
InChI InChI=1S/C22H16O2S8/c1-25-17-18(26-2)30-21(29-17)22-31-19(27-15(23)13-9-5-3-6-10-13)20(32-22)28-16(24)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey XBBPNQITIXFGFH-UHFFFAOYSA-N
Mol Weight 568.8 g/mol
Molecular Formula C22H16O2S8
Exact Mass 567.891604 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID 6i6vJte7wzA
Name 4,5-Bis(p-benzoylsulfanyl)-4',5'-bis(methylsulfanyl)tetrathiafulvalene
Alternate Name(s) benzenecarbothioic acid S-[5-(benzoylthio)-2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl] ester S-[5-benzoylsulfanyl-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl] benzenecarbothioate S-[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(phenylcarbonylsulfanyl)-1,3-dithiol-4-yl] benzenecarbothioate
Classification Benzoic acids and derivatives
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Formula C22H16O2S8
InChI InChI=1S/C22H16O2S8/c1-25-17-18(26-2)30-21(29-17)22-31-19(27-15(23)13-9-5-3-6-10-13)20(32-22)28-16(24)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey XBBPNQITIXFGFH-UHFFFAOYSA-N
SPLASH splash10-0aor-0800090000-7e82ebf575323bf3dba6
Source of Spectrum KC-0-2719-22
SpectraBase Batch ID 8NgDBIlJwOx