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3-Cyano-4-(benzo[d][1,3]dioxol-5-yl)-2-morpholino-6-(10H-phenothiazin-8-yl)pyridine
SpectraBase Compound ID I7P0bpRN6Z8
InChI InChI=1S/C29H22N4O3S/c30-16-21-20(18-5-7-25-26(14-18)36-17-35-25)15-23(32-29(21)33-9-11-34-12-10-33)19-6-8-28-24(13-19)31-22-3-1-2-4-27(22)37-28/h1-8,13-15,31H,9-12,17H2
InChIKey OUXMCBFJYPNYSW-UHFFFAOYSA-N
Mol Weight 506.58 g/mol
Molecular Formula C29H22N4O3S
Exact Mass 506.141262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGXQCqu7a7V
Name 3-Cyano-4-(benzo[d][1,3]dioxol-5-yl)-2-morpholino-6-(10H-phenothiazin-8-yl)pyridine
Appearance Dark orange crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H22N4O3S
InChI InChI=1S/C29H22N4O3S/c30-16-21-20(18-5-7-25-26(14-18)36-17-35-25)15-23(32-29(21)33-9-11-34-12-10-33)19-6-8-28-24(13-19)31-22-3-1-2-4-27(22)37-28/h1-8,13-15,31H,9-12,17H2
InChIKey OUXMCBFJYPNYSW-UHFFFAOYSA-N
Instrument Name Kratos and Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3771
Molecular Weight 506.580 g/mol
SMILES N1c2c(Sc3c1cc(cc3)-c1nc(c(C#N)c(c1)-c1ccc3c(OCO3)c1)N1CCOCC1)cccc2
SPLASH splash10-0006-0090000000-9f041c68da718e1d03e0
Source of Spectrum Y-57-264-9b
Thin-Layer Chromatography Rf = 0.37 (PE (40-60): EtOAc, 4:1)
Wiley ID 1859783