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1-(3-(10H-phenothiazin-2-yl)-5-(1,3-diphenyl-1H-pyrazol-4-yl)-1H-pyrazol-1-yl)ethanone
SpectraBase Compound ID IVUlQkeBXkp
InChI InChI=1S/C32H23N5OS/c1-21(38)37-29(25-20-36(24-12-6-3-7-13-24)35-32(25)22-10-4-2-5-11-22)19-27(34-37)23-16-17-31-28(18-23)33-26-14-8-9-15-30(26)39-31/h2-20,33H,1H3
InChIKey RMMZSHXPDYWCIL-UHFFFAOYSA-N
Mol Weight 525.6 g/mol
Molecular Formula C32H23N5OS
Exact Mass 525.162332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88lSdMHwGf2
Name 1-(3-(10H-phenothiazin-2-yl)-5-(1,3-diphenyl-1H-pyrazol-4-yl)-1H-pyrazol-1-yl)ethanone
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H23N5OS
InChI InChI=1S/C32H23N5OS/c1-21(38)37-29(25-20-36(24-12-6-3-7-13-24)35-32(25)22-10-4-2-5-11-22)19-27(34-37)23-16-17-31-28(18-23)33-26-14-8-9-15-30(26)39-31/h2-20,33H,1H3
InChIKey RMMZSHXPDYWCIL-UHFFFAOYSA-N
Instrument Name Kratos MS equipment or Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2716
Molecular Weight 525.630 g/mol
SMILES N1c2c(Sc3c1cc(cc3)-c1n[n](c(c1)-c1c(n[n](c1)-c1ccccc1)-c1ccccc1)C(C)=O)cccc2
SPLASH splash10-00b9-5100970000-e518a92b1ebcc07db7f6
Source of Spectrum Y-54-1375-23
Thin-Layer Chromatography Rf = 0.56 (pet. ether (40-60)/ethyl acetate, 4:1)
Wiley ID 1878174