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2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3-methyl-6,7-diphenyl-
SpectraBase Compound ID 22BGoiZHNlm
InChI InChI=1S/C25H17ClN4O2/c1-29-24(31)21-23(28-25(29)32)30(19-14-12-18(26)13-15-19)22(17-10-6-3-7-11-17)20(27-21)16-8-4-2-5-9-16/h2-15H,1H3
InChIKey LZWQPVILMDOTME-UHFFFAOYSA-N
Mol Weight 440.89 g/mol
Molecular Formula C25H17ClN4O2
Exact Mass 440.104004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lf4svsQDlm
Name 2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3-methyl-6,7-diphenyl-
Alternate Name(s) 8-(4-chlorophenyl)-3-methyl-6,7-diphenyl-pteridine-2,4-dione 8-(4-chlorophenyl)-3-methyl-6,7-diphenyl-pteridine-2,4-quinone
CAS Registry Number 130806-37-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17ClN4O2
InChI InChI=1S/C25H17ClN4O2/c1-29-24(31)21-23(28-25(29)32)30(19-14-12-18(26)13-15-19)22(17-10-6-3-7-11-17)20(27-21)16-8-4-2-5-9-16/h2-15H,1H3
InChIKey LZWQPVILMDOTME-UHFFFAOYSA-N
Molecular Weight 440.890 g/mol
SMILES C=12C(=NC(=C(N2c2ccc(cc2)Cl)c2ccccc2)c2ccccc2)C(=O)N(C(N1)=O)C
SPLASH splash10-000i-0001900000-faf2a0004363da3d9f7c
Source of Spectrum B-43-1453-3
Wiley ID 1384707