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1,2-bis(10'-Hexyl-10H-phenothiazin-3'-yl)ethyne
SpectraBase Compound ID KKtakFSQN2D
InChI InChI=1S/C38H40N2S2/c1-3-5-7-13-25-39-31-15-9-11-17-35(31)41-37-27-29(21-23-33(37)39)19-20-30-22-24-34-38(28-30)42-36-18-12-10-16-32(36)40(34)26-14-8-6-4-2/h9-12,15-18,21-24,27-28H,3-8,13-14,25-26H2,1-2H3
InChIKey HUNFSIJLJCNOHA-UHFFFAOYSA-N
Mol Weight 588.9 g/mol
Molecular Formula C38H40N2S2
Exact Mass 588.263292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0dAs3PbF0y
Name 1,2-bis(10'-Hexyl-10H-phenothiazin-3'-yl)ethyne
Alternate Name(s) 10-hexyl-3-[(10-hexyl-10H-phenothiazin-3-yl)ethynyl]-10H-phenothiazine 10-hexyl-3-[2-(10-hexyl-3-phenothiazinyl)ethynyl]phenothiazine
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Formula C38H40N2S2
InChI InChI=1S/C38H40N2S2/c1-3-5-7-13-25-39-31-15-9-11-17-35(31)41-37-27-29(21-23-33(37)39)19-20-30-22-24-34-38(28-30)42-36-18-12-10-16-32(36)40(34)26-14-8-6-4-2/h9-12,15-18,21-24,27-28H,3-8,13-14,25-26H2,1-2H3
InChIKey HUNFSIJLJCNOHA-UHFFFAOYSA-N
Molecular Weight 588.872 g/mol
SMILES c12N(c3c(Sc2cc(C#Cc2cc4Sc5ccccc5N(c4cc2)CCCCCC)cc1)cccc3)CCCCCC
SPLASH splash10-000i-0000090000-3014c8cb458cf72ac45d
Source of Spectrum K1-2003-3546-7
Wiley ID 1521386