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10-{4,6-Dihydro-N-tosylpyrrolo[3,4-d]-1,3-dithio-2-ylidene}anthracene-9(10H)-one
SpectraBase Compound ID 1TiME5BHsc6
InChI InChI=1S/C26H19NO3S3/c1-16-10-12-17(13-11-16)33(29,30)27-14-22-23(15-27)32-26(31-22)24-18-6-2-4-8-20(18)25(28)21-9-5-3-7-19(21)24/h2-13H,14-15H2,1H3
InChIKey SZTHFEPDWAZASJ-UHFFFAOYSA-N
Mol Weight 489.62 g/mol
Molecular Formula C26H19NO3S3
Exact Mass 489.052707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zTznykv6Vt
Name 10-{4,6-Dihydro-N-tosylpyrrolo[3,4-d]-1,3-dithio-2-ylidene}anthracene-9(10H)-one
Alternate Name(s) 10-[5-(4-methylphenyl)sulfonyl-4,6-dihydro-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-9-anthracenone 10-[5-(p-tolylsulfonyl)-4,6-dihydro-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]anthracen-9-one 10-[5-(4-methylphenyl)sulfonyl-4,6-dihydro-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]anthracen-9-one
Comments Less than 3 mono-isotopic peaks
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Formula C26H19NO3S3
InChI InChI=1S/C26H19NO3S3/c1-16-10-12-17(13-11-16)33(29,30)27-14-22-23(15-27)32-26(31-22)24-18-6-2-4-8-20(18)25(28)21-9-5-3-7-19(21)24/h2-13H,14-15H2,1H3
InChIKey SZTHFEPDWAZASJ-UHFFFAOYSA-N
Molecular Weight 489.622 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CC=2SC(SC12)=C1c2c(cccc2)C(c2c1cccc2)=O
SPLASH splash10-0006-9000100000-b5c179a0a16db327285f
Source of Spectrum KC-1-520-26
Wiley ID 1577658