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1-(2-Chloranylphenothiazin-10-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
SpectraBase Compound ID FKZVXQLyMME
InChI InChI=1S/C29H19ClN2O2S2/c30-21-15-16-25-23(17-21)32(22-13-7-8-14-24(22)36-25)26(33)18-35-29-31-27(19-9-3-1-4-10-19)28(34-29)20-11-5-2-6-12-20/h1-17H,18H2
InChIKey RDNMLHDKUAQCBH-UHFFFAOYSA-N
Mol Weight 527.06 g/mol
Molecular Formula C29H19ClN2O2S2
Exact Mass 526.057648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qTYopXveDf
Name 1-(2-Chloranylphenothiazin-10-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.057647906 u
Formula C29H19ClN2O2S2
InChI InChI=1S/C29H19ClN2O2S2/c30-21-15-16-25-23(17-21)32(22-13-7-8-14-24(22)36-25)26(33)18-35-29-31-27(19-9-3-1-4-10-19)28(34-29)20-11-5-2-6-12-20/h1-17H,18H2
InChIKey RDNMLHDKUAQCBH-UHFFFAOYSA-N
Molecular Weight 527.056 g/mol
SMILES C1=CC=C(C=2N=C(SCC(N3C4=C(C=CC(=C4)Cl)SC=4C3=CC=CC4)=O)OC2C2=CC=CC=C2)C=C1