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(E)-1-(4a,10a-Dihydro-10H-phenothiazin-2-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one
SpectraBase Compound ID 9kNN6b43guv
InChI InChI=1S/C30H23N3OS/c34-27(22-16-18-29-26(19-22)31-25-13-7-8-14-28(25)35-29)17-15-23-20-33(24-11-5-2-6-12-24)32-30(23)21-9-3-1-4-10-21/h1-20,26,29,31H/b17-15+
InChIKey HYEGBBFBNJFBMD-BMRADRMJSA-N
Mol Weight 473.59 g/mol
Molecular Formula C30H23N3OS
Exact Mass 473.156184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYUL0QLhuVR
Name (E)-1-(4a,10a-Dihydro-10H-phenothiazin-2-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H23N3OS
InChI InChI=1S/C30H23N3OS/c34-27(22-16-18-29-26(19-22)31-25-13-7-8-14-28(25)35-29)17-15-23-20-33(24-11-5-2-6-12-24)32-30(23)21-9-3-1-4-10-21/h1-20,26,29,31H/b17-15+
InChIKey HYEGBBFBNJFBMD-BMRADRMJSA-N
Instrument Name Kratos and Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3771
Molecular Weight 473.594 g/mol
SMILES N1c2c(SC3C1C=C(C=C3)C(\C=C\c1c(n[n](c1)-c1ccccc1)-c1ccccc1)=O)cccc2
SPLASH splash10-00di-2000900000-6cfae2bc34a20e1b569e
Source of Spectrum Y-57-263-2a
Thin-Layer Chromatography Rf = 0.8, (PE (40-60): EtOAc, 4:1)
Wiley ID 1859777