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Pyrimidinium, 3,4-dihydro-6-hydroxy-2-methyl-4-oxo-1,3-diphenyl-5-(trifluoroacetyl)-, hydroxide, inner salt
SpectraBase Compound ID 7VckCvi9kbj
InChI InChI=1S/C19H13F3N2O3/c1-12-23(13-8-4-2-5-9-13)17(26)15(16(25)19(20,21)22)18(27)24(12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey TWAFVMMYTFHKFD-UHFFFAOYSA-N
Mol Weight 374.32 g/mol
Molecular Formula C19H13F3N2O3
Exact Mass 374.087827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C84rVW2Fy9j
Name Pyrimidinium, 3,4-dihydro-6-hydroxy-2-methyl-4-oxo-1,3-diphenyl-5-(trifluoroacetyl)-, hydroxide, inner salt
Alternate Name(s) 2-Methyl-6-oxo-1,3-diphenyl-5-(trifluoroacetyl)-3,6-dihydropyrimidin-1-ium-4-olate 3,6-Dihydro-2-methyl-6-oxo-diphenyl-5-(trifluoracetyl)pyrimidin-1-ium-4-olat
CAS Registry Number 100645-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13F3N2O3
InChI InChI=1S/C19H13F3N2O3/c1-12-23(13-8-4-2-5-9-13)17(26)15(16(25)19(20,21)22)18(27)24(12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey TWAFVMMYTFHKFD-UHFFFAOYSA-N
Molecular Weight 374.319 g/mol
SMILES C1([N+](=C(N(C(=C1C(C(F)(F)F)=O)[O-])c1ccccc1)C)c1ccccc1)=O
SPLASH splash10-00b9-8009000000-099becd477364d909235
Source of Spectrum K-118-4586-18
Wiley ID 1356499