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N,N'-bis(4'-Phenylbutyl)-5,5-dioxo-phenothiazine-2,8-dimethanamine
SpectraBase Compound ID ApKzJ971eqk
InChI InChI=1S/C34H39N3O2S/c38-40(39)33-19-17-29(25-35-21-9-7-15-27-11-3-1-4-12-27)23-31(33)37-32-24-30(18-20-34(32)40)26-36-22-10-8-16-28-13-5-2-6-14-28/h1-6,11-14,17-20,23-24,35-37H,7-10,15-16,21-22,25-26H2
InChIKey UREHEZVHJDELRQ-UHFFFAOYSA-N
Mol Weight 553.8 g/mol
Molecular Formula C34H39N3O2S
Exact Mass 553.276299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpEAbLbAvev
Name N,N'-bis(4'-Phenylbutyl)-5,5-dioxo-phenothiazine-2,8-dimethanamine
Alternate Name(s) N-[(5,5-dioxido-8-{[(4-phenylbutyl)amino]methyl}-10H-phenothiazin-2-yl)methyl]-4-phenyl-1-butanamine N-[(5,5-dioxido-8-{[(4-phenylbutyl)amino]methyl}-10H-phenothiazin-2-yl)methyl]-N-(4-phenylbutyl)amine
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Formula C34H39N3O2S
InChI InChI=1S/C34H39N3O2S/c38-40(39)33-19-17-29(25-35-21-9-7-15-27-11-3-1-4-12-27)23-31(33)37-32-24-30(18-20-34(32)40)26-36-22-10-8-16-28-13-5-2-6-14-28/h1-6,11-14,17-20,23-24,35-37H,7-10,15-16,21-22,25-26H2
InChIKey UREHEZVHJDELRQ-UHFFFAOYSA-N
Molecular Weight 553.765 g/mol
SMILES N(Cc1cc2c(S(c3ccc(CNCCCCc4ccccc4)cc3N2)(=O)=O)cc1)CCCCc1ccccc1
SPLASH splash10-000i-9000830000-8fd194e9d90dfd30f80c
Source of Spectrum D8-325-238-2
Wiley ID 1514369