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4-(4-Methoxyphenyl)-6-{4-[(4-phenylphthalazin-1-yl)amino]phenyl}-pyrimidin-2(1H)-one
SpectraBase Compound ID 6w0L6pwzKdH
InChI InChI=1S/C31H23N5O2/c1-38-24-17-13-21(14-18-24)28-19-27(33-31(37)34-28)20-11-15-23(16-12-20)32-30-26-10-6-5-9-25(26)29(35-36-30)22-7-3-2-4-8-22/h2-19H,1H3,(H,32,36)(H,33,34,37)
InChIKey FQUVUIKZJRLZMG-UHFFFAOYSA-N
Mol Weight 497.56 g/mol
Molecular Formula C31H23N5O2
Exact Mass 497.185175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kzd5LwU6MNW
Name 4-(4-Methoxyphenyl)-6-{4-[(4-phenylphthalazin-1-yl)amino]phenyl}-pyrimidin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H23N5O2
InChI InChI=1S/C31H23N5O2/c1-38-24-17-13-21(14-18-24)28-19-27(33-31(37)34-28)20-11-15-23(16-12-20)32-30-26-10-6-5-9-25(26)29(35-36-30)22-7-3-2-4-8-22/h2-19H,1H3,(H,32,36)(H,33,34,37)
InChIKey FQUVUIKZJRLZMG-UHFFFAOYSA-N
Instrument Name Thermo Scientific GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100201
Molecular Weight 497.558 g/mol
SMILES N(c1c2ccccc2c(nn1)-c1ccccc1)c1ccc(C2=NC(NC(=C2)c2ccc(cc2)OC)=O)cc1
SPLASH splash10-08fr-0006900000-2a8741f86ff193933aea
Source of Spectrum APC-354-SM39-7c
Wiley ID 1851403