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Pyrimidinium, 2-(ethylthio)-3,6-dihydro-4-hydroxy-6-oxo-1,3,5-triphenyl-, hydroxide, inner salt
SpectraBase Compound ID A0gieg8d3f1
InChI InChI=1S/C24H20N2O2S/c1-2-29-24-25(19-14-8-4-9-15-19)22(27)21(18-12-6-3-7-13-18)23(28)26(24)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKey IAJUGQRHHKLCRV-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H20N2O2S
Exact Mass 400.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2K4XJ8iStB
Name Pyrimidinium, 2-(ethylthio)-3,6-dihydro-4-hydroxy-6-oxo-1,3,5-triphenyl-, hydroxide, inner salt
Alternate Name(s) 2-(ethylsulfanyl)-6-oxo-1,3,5-triphenyl-1,6-dihydropyrimidin-3-ium-4-olate 2-(ethylthio)-3,6-dihydro-6-oxo-1,3,5-triphenyl-1-pyrimidinium-4-olat
CAS Registry Number 103525-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20N2O2S
InChI InChI=1S/C24H20N2O2S/c1-2-29-24-25(19-14-8-4-9-15-19)22(27)21(18-12-6-3-7-13-18)23(28)26(24)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKey IAJUGQRHHKLCRV-UHFFFAOYSA-N
Molecular Weight 400.496 g/mol
SMILES C1(=[N+](C(=C(C(N1c1ccccc1)=O)c1ccccc1)[O-])c1ccccc1)SCC
SPLASH splash10-003m-6902200000-8782ba708c4777558a78
Source of Spectrum K-119-1323-3
Wiley ID 1369506