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2-((10-Methyl-10H-phenothiazin-3-yl)methyl)-4-phenyl-1H-benzo[f]isoindole-1,3(2H)-dione
SpectraBase Compound ID HRWeKHp5DQJ
InChI InChI=1S/C32H22N2O2S/c1-33-25-13-7-8-14-27(25)37-28-17-20(15-16-26(28)33)19-34-31(35)24-18-22-11-5-6-12-23(22)29(30(24)32(34)36)21-9-3-2-4-10-21/h2-18H,19H2,1H3
InChIKey DUTAEBSXJHUXMY-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C32H22N2O2S
Exact Mass 498.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbNTlpgaAvl
Name 2-((10-Methyl-10H-phenothiazin-3-yl)methyl)-4-phenyl-1H-benzo[f]isoindole-1,3(2H)-dione
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H22N2O2S
InChI InChI=1S/C32H22N2O2S/c1-33-25-13-7-8-14-27(25)37-28-17-20(15-16-26(28)33)19-34-31(35)24-18-22-11-5-6-12-23(22)29(30(24)32(34)36)21-9-3-2-4-10-21/h2-18H,19H2,1H3
InChIKey DUTAEBSXJHUXMY-UHFFFAOYSA-N
Instrument Name Finnigan Trace DSQ-GC Ultra
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.231
Molecular Weight 498.600 g/mol
SMILES C1(N(C(c2c1c(c1c(c2)cccc1)-c1ccccc1)=O)Cc1ccc2c(c1)Sc1c(N2C)cccc1)=O
SPLASH splash10-0002-0020900000-388497901ab7d7fc378e
Source of Spectrum BJO-13-SM15-4c
Thin-Layer Chromatography Rf = 0.61 (n-hexane:EtOAc, 2:1)
Wiley ID 1848279