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2-(4,5-Dimethyl-[1,3]dithiol-2-ylidene)-3-thioxanthen-9-ylidene-propionaldehyde
SpectraBase Compound ID KwYtQLyh18m
InChI InChI=1S/C21H16OS3/c1-13-14(2)24-21(23-13)15(12-22)11-18-16-7-3-5-9-19(16)25-20-10-6-4-8-17(18)20/h3-12H,1-2H3
InChIKey SLTMEGOSBXLNOI-UHFFFAOYSA-N
Mol Weight 380.54 g/mol
Molecular Formula C21H16OS3
Exact Mass 380.036329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnRpq7mKPfS
Name 2-(4,5-Dimethyl-[1,3]dithiol-2-ylidene)-3-thioxanthen-9-ylidene-propionaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C21H16OS3
InChI InChI=1S/C21H16OS3/c1-13-14(2)24-21(23-13)15(12-22)11-18-16-7-3-5-9-19(16)25-20-10-6-4-8-17(18)20/h3-12H,1-2H3
InChIKey SLTMEGOSBXLNOI-UHFFFAOYSA-N
Molecular Weight 380.538 g/mol
SMILES C1(=CC(=C2SC(C)=C(S2)C)C=O)c2c(cccc2)Sc2c1cccc2
SPLASH splash10-053r-0609000000-1b4d48dd513159ba51e8
Source of Spectrum QE-12-5492-9
Synonyms 2-(4,5-dimethyl-1,3-thiol-2-ylidene)-3-thioxanthen-9-ylidenepropionaldehyde 3-(10H-dibenzo[b,e]thiopyran-10-ylidene)-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)propanal
Wiley ID 1587153