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Pyrimidinium, 5-carboxy-1,2,4-trimethyl-6-phenyl-, hydroxide, inner salt
SpectraBase Compound ID Ddw6QIYqn8V
InChI InChI=1S/C14H14N2O2/c1-9-12(14(17)18)13(16(3)10(2)15-9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey BBVYISXVJVLJRO-UHFFFAOYSA-N
Mol Weight 242.28 g/mol
Molecular Formula C14H14N2O2
Exact Mass 242.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KQzWgdMltq
Name Pyrimidinium, 5-carboxy-1,2,4-trimethyl-6-phenyl-, hydroxide, inner salt
Alternate Name(s) 1,2,4-trimethyl-6-phenylpyrimidin-1-ium-5-carboxylate 6-Phenyl-1,2,4-trimethylpyrimidinium-5-carboxylate
CAS Registry Number 89318-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O2
InChI InChI=1S/C14H14N2O2/c1-9-12(14(17)18)13(16(3)10(2)15-9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey BBVYISXVJVLJRO-UHFFFAOYSA-N
Molecular Weight 242.278 g/mol
SMILES c1([n+](c(nc(c1C([O-])=O)C)C)C)-c1ccccc1
SPLASH splash10-00kb-3900000000-be98cfe184b18178cf86
Source of Spectrum J-52-2464-3
Wiley ID 1245120