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Pyrimidinium, 3,4-dihydro-6-hydroxy-2-methyl-5-[(4-nitrophenyl)azo]-4-oxo-1,3-diphenyl-, hydroxide, inner salt
SpectraBase Compound ID EGsZPRefObR
InChI InChI=1S/C23H17N5O4/c1-16-26(18-8-4-2-5-9-18)22(29)21(23(30)27(16)19-10-6-3-7-11-19)25-24-17-12-14-20(15-13-17)28(31)32/h2-15H,1H3
InChIKey VAHIIJYVMZSVNO-UHFFFAOYSA-N
Mol Weight 427.42 g/mol
Molecular Formula C23H17N5O4
Exact Mass 427.128054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XXkWqJynkk
Name Pyrimidinium, 3,4-dihydro-6-hydroxy-2-methyl-5-[(4-nitrophenyl)azo]-4-oxo-1,3-diphenyl-, hydroxide, inner salt
CAS Registry Number 100645-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N5O4
InChI InChI=1S/C23H17N5O4/c1-16-26(18-8-4-2-5-9-18)22(29)21(23(30)27(16)19-10-6-3-7-11-19)25-24-17-12-14-20(15-13-17)28(31)32/h2-15H,1H3
InChIKey VAHIIJYVMZSVNO-UHFFFAOYSA-N
Molecular Weight 427.420 g/mol
SMILES C1([N+](=C(N(C(=C1\N=N\c1ccc(N(=O)=O)cc1)[O-])c1ccccc1)C)c1ccccc1)=O
SPLASH splash10-004i-9310500000-68cfd4613af3b3e0c85c
Source of Spectrum K-118-4584-11
Synonyms 2-Methyl-5-[(E)-(4-nitrophenyl)diazenyl]-6-oxo-1,3-diphenyl-3,6-dihydropyrimidin-1-ium-4-olate 3,6-Dihydro-2-methyl-5-(4-nitriophenylazo)-6-oxo-1,3-diphenylpyrimidin-1-ium-4-olat
Wiley ID 1380387