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2-[4-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-oxy-5-phenyl-1H-imidazol-1-yl]acetic Acid
SpectraBase Compound ID CZk9B2phBlg
InChI InChI=1S/C16H14N4O4/c1-10-7-12(21)18-16(17-10)15-14(11-5-3-2-4-6-11)19(8-13(22)23)9-20(15)24/h2-7,9H,8H2,1H3,(H,22,23)(H,17,18,21)
InChIKey BJBYRNNFWUUGNK-UHFFFAOYSA-N
Mol Weight 326.31 g/mol
Molecular Formula C16H14N4O4
Exact Mass 326.101505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZIYhlEvd3B
Name 2-[4-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-oxy-5-phenyl-1H-imidazol-1-yl]acetic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N4O4
InChI InChI=1S/C16H14N4O4/c1-10-7-12(21)18-16(17-10)15-14(11-5-3-2-4-6-11)19(8-13(22)23)9-20(15)24/h2-7,9H,8H2,1H3,(H,22,23)(H,17,18,21)
InChIKey BJBYRNNFWUUGNK-UHFFFAOYSA-N
Molecular Weight 326.312 g/mol
SMILES N1C(C=C(N=C1c1[n+](c[n](CC(=O)O)c1-c1ccccc1)[O-])C)=O
SPLASH splash10-06tf-7319000000-5a0fc746cdae77c95c4b
Source of Spectrum HC-48-1490-7c
Synonyms 1-(carboxymethyl)-4-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-5-phenyl-1H-imidazole 3-oxide
Wiley ID 1739133