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1,4-bis{3'-Formyl-N-methyldibenzo[2,3-a : 5,6-a'](1,4)-thiazin-9'-yl]buta-1,3-diyne
SpectraBase Compound ID 5ekkXlpruAL
InChI InChI=1S/C32H20N2O2S2/c1-33-25-11-7-21(15-29(25)37-31-17-23(19-35)9-13-27(31)33)5-3-4-6-22-8-12-26-30(16-22)38-32-18-24(20-36)10-14-28(32)34(26)2/h7-20H,1-2H3
InChIKey WHGYAFSUQHOZQX-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C32H20N2O2S2
Exact Mass 528.09662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je6wmw8tzXA
Name 1,4-bis{3'-Formyl-N-methyldibenzo[2,3-a : 5,6-a'](1,4)-thiazin-9'-yl]buta-1,3-diyne
Alternate Name(s) 1,4-bis[3'-Formyl-N-hexylphenothiazin-7'-yl]buta-1,3-diyne 1,4-bis{3'-Formyl-N-methyldibenzo[2,3-a : 5,6-a'](1,4)-thiazin-9'-yl]cuta-1,3-diyne 7-[4-(7-formyl-10-methyl-10H-phenothiazin-3-yl)-1,3-butadiynyl]-10-methyl-10H-phenothiazine-3-carbaldehyde
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Formula C32H20N2O2S2
InChI InChI=1S/C32H20N2O2S2/c1-33-25-11-7-21(15-29(25)37-31-17-23(19-35)9-13-27(31)33)5-3-4-6-22-8-12-26-30(16-22)38-32-18-24(20-36)10-14-28(32)34(26)2/h7-20H,1-2H3
InChIKey WHGYAFSUQHOZQX-UHFFFAOYSA-N
Molecular Weight 528.644 g/mol
SMILES c12N(c3c(Sc2cc(C#CC#Cc2cc4Sc5cc(C=O)ccc5N(c4cc2)C)cc1)cc(cc3)C=O)C
SPLASH splash10-004i-0000190000-c4052e132eef212e8327
Source of Spectrum OL-2-3726-17
Wiley ID 1547509