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2,5-bis[2'-(10''-Methyl-10H-phenothiazin-3''-yl)ethynyl]-thiophene
SpectraBase Compound ID wMhS4bzxUR
InChI InChI=1S/C34H22N2S3/c1-35-27-7-3-5-9-31(27)38-33-21-23(13-19-29(33)35)11-15-25-17-18-26(37-25)16-12-24-14-20-30-34(22-24)39-32-10-6-4-8-28(32)36(30)2/h3-10,13-14,17-22H,1-2H3
InChIKey KKNFMEYMBDYNQQ-UHFFFAOYSA-N
Mol Weight 554.7 g/mol
Molecular Formula C34H22N2S3
Exact Mass 554.094512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFEOFTSgMdG
Name 2,5-bis[2'-(10''-Methyl-10H-phenothiazin-3''-yl)ethynyl]-thiophene
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Formula C34H22N2S3
InChI InChI=1S/C34H22N2S3/c1-35-27-7-3-5-9-31(27)38-33-21-23(13-19-29(33)35)11-15-25-17-18-26(37-25)16-12-24-14-20-30-34(22-24)39-32-10-6-4-8-28(32)36(30)2/h3-10,13-14,17-22H,1-2H3
InChIKey KKNFMEYMBDYNQQ-UHFFFAOYSA-N
Molecular Weight 554.744 g/mol
SMILES c12N(c3c(Sc2cc(C#Cc2sc(C#Cc4cc5Sc6ccccc6N(c5cc4)C)cc2)cc1)cccc3)C
SPLASH splash10-0zfr-0000090000-2f65bb90d727314da514
Source of Spectrum K1-2003-3547-13
Synonyms 10-Methyl-3-({5-[(10-methyl-10H-phenothiazin-3-yl)ethynyl]-2-thienyl}ethynyl)-10H-phenothiazine
Wiley ID 1521385