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Pyrimidinium, 3,4-dihydro-6-hydroxy-5-[(4-nitrophenyl)azo]-4-oxo-1,2,3-triphenyl-, hydroxide, inner salt
SpectraBase Compound ID 7j6JeQTgoVw
InChI InChI=1S/C28H19N5O4/c34-27-25(30-29-21-16-18-24(19-17-21)33(36)37)28(35)32(23-14-8-3-9-15-23)26(20-10-4-1-5-11-20)31(27)22-12-6-2-7-13-22/h1-19H
InChIKey QRGLSIRONSTZQZ-UHFFFAOYSA-N
Mol Weight 489.49 g/mol
Molecular Formula C28H19N5O4
Exact Mass 489.143704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQEyK5VbCNA
Name Pyrimidinium, 3,4-dihydro-6-hydroxy-5-[(4-nitrophenyl)azo]-4-oxo-1,2,3-triphenyl-, hydroxide, inner salt
Alternate Name(s) 3,6-Dihydro-5-(4-nitrophenylazo)-6-oxo-1,2,3-triphenylpyrimidin-1-ium-4-olat 5-[(E)-(4-nitrophenyl)diazenyl]-6-oxo-1,2,3-triphenyl-3,6-dihydropyrimidin-1-ium-4-olate
CAS Registry Number 100645-25-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H19N5O4
InChI InChI=1S/C28H19N5O4/c34-27-25(30-29-21-16-18-24(19-17-21)33(36)37)28(35)32(23-14-8-3-9-15-23)26(20-10-4-1-5-11-20)31(27)22-12-6-2-7-13-22/h1-19H
InChIKey QRGLSIRONSTZQZ-UHFFFAOYSA-N
Molecular Weight 489.491 g/mol
SMILES C1(=[N+](C(C(=C(N1c1ccccc1)[O-])\N=N\c1ccc(N(=O)=O)cc1)=O)c1ccccc1)c1ccccc1
SPLASH splash10-004i-9000000000-2d669d158894baabe5b8
Source of Spectrum K-118-4585-11
Wiley ID 1397077