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Pyrimidinium, 3,4-dihydro-6-hydroxy-4-oxo-1,2,3-triphenyl-5-(trifluoroacetyl)-, hydroxide, inner salt
SpectraBase Compound ID 74MnM4n6wmZ
InChI InChI=1S/C24H15F3N2O3/c25-24(26,27)20(30)19-22(31)28(17-12-6-2-7-13-17)21(16-10-4-1-5-11-16)29(23(19)32)18-14-8-3-9-15-18/h1-15H
InChIKey MIWFHXHXDTTZRO-UHFFFAOYSA-N
Mol Weight 436.39 g/mol
Molecular Formula C24H15F3N2O3
Exact Mass 436.103477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJsxRfpbPdy
Name Pyrimidinium, 3,4-dihydro-6-hydroxy-4-oxo-1,2,3-triphenyl-5-(trifluoroacetyl)-, hydroxide, inner salt
CAS Registry Number 100645-36-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H15F3N2O3
InChI InChI=1S/C24H15F3N2O3/c25-24(26,27)20(30)19-22(31)28(17-12-6-2-7-13-17)21(16-10-4-1-5-11-16)29(23(19)32)18-14-8-3-9-15-18/h1-15H
InChIKey MIWFHXHXDTTZRO-UHFFFAOYSA-N
Molecular Weight 436.390 g/mol
SMILES C1([N+](=C(N(C(=C1C(C(F)(F)F)=O)[O-])c1ccccc1)c1ccccc1)c1ccccc1)=O
SPLASH splash10-001i-0901000000-4f10cb0541e33632f201
Source of Spectrum K-118-4586-18
Synonyms 3,6-Dihydro-6-oxo-1,2,3-triphenyl-5-(trifluoracetyl)pyrimidin-1-ium-4-olat 6-Oxo-1,2,3-triphenyl-5-(trifluoroacetyl)-3,6-dihydropyrimidin-1-ium-4-olate
Wiley ID 1383476