For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5,5'-[(4-Nitrophenyl)methanediyl]bis(6-hydroxy-2-phenyl-3-methylpyrimidin-4(3H)-one)
SpectraBase Compound ID LTDx3CmX5xt
InChI InChI=1S/C29H23N5O6/c1-32-24(18-9-5-3-6-10-18)30-26(35)22(28(32)37)21(17-13-15-20(16-14-17)34(39)40)23-27(36)31-25(33(2)29(23)38)19-11-7-4-8-12-19/h3-16,21,35-36H,1-2H3
InChIKey AGOPGJVSHNNAHI-UHFFFAOYSA-N
Mol Weight 537.53 g/mol
Molecular Formula C29H23N5O6
Exact Mass 537.164833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LDsfJLQPs41
Name 5,5'-[(4-Nitrophenyl)methanediyl]bis(6-hydroxy-2-phenyl-3-methylpyrimidin-4(3H)-one)
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 537.164833475 u
Formula C29H23N5O6
InChI InChI=1S/C29H23N5O6/c1-32-24(18-9-5-3-6-10-18)30-26(35)22(28(32)37)21(17-13-15-20(16-14-17)34(39)40)23-27(36)31-25(33(2)29(23)38)19-11-7-4-8-12-19/h3-16,21,35-36H,1-2H3
InChIKey AGOPGJVSHNNAHI-UHFFFAOYSA-N
Instrument Name MX-1321
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2226
Molecular Weight 537.532 g/mol
Quality 56
SMILES OC=1N=C(N(C(C1C(C=1C(N(C(=NC1O)C1=CC=CC=C1)C)=O)C1=CC=C([N+](=O)[O-])C=C1)=O)C)C1=CC=CC=C1
SPLASH splash10-0udi-0913010000-c18f6bf1f22a21501219
Source of Spectrum Y-52-1623-8 (DOI: 10.1002/jhet.2226)
Thin-Layer Chromatography 0.77 (chloroform/methanol/AcOH, 8:1:1)
Wiley ID 1902588