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2-(4-Cyanophenyl)-1-(10-methyl-10H-phenothiazin-3-yl)-4-phenylbutane-1,4-dione
SpectraBase Compound ID KclJAPVg5f9
InChI InChI=1S/C30H22N2O2S/c1-32-25-9-5-6-10-28(25)35-29-17-23(15-16-26(29)32)30(34)24(21-13-11-20(19-31)12-14-21)18-27(33)22-7-3-2-4-8-22/h2-17,24H,18H2,1H3
InChIKey YMBZCJKRCVPKMO-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C30H22N2O2S
Exact Mass 474.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxNYhaFSXnA
Name 2-(4-Cyanophenyl)-1-(10-methyl-10H-phenothiazin-3-yl)-4-phenylbutane-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22N2O2S
InChI InChI=1S/C30H22N2O2S/c1-32-25-9-5-6-10-28(25)35-29-17-23(15-16-26(29)32)30(34)24(21-13-11-20(19-31)12-14-21)18-27(33)22-7-3-2-4-8-22/h2-17,24H,18H2,1H3
InChIKey YMBZCJKRCVPKMO-UHFFFAOYSA-N
Molecular Weight 474.578 g/mol
SMILES C(C(CC(=O)c1ccccc1)c1ccc(cc1)C#N)(=O)c1ccc2c(c1)Sc1ccccc1N2C
SPLASH splash10-006x-0080900000-12c8227e59a0e006936c
Source of Spectrum CV-2004-2400-5
Synonyms 4-{1-[(10-methyl-10H-phenothiazin-3-yl)carbonyl]-3-oxo-3-phenylpropyl}benzonitrile
Wiley ID 1611589