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3-((4-Oxo-5,7-di-p-tolyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)thio)pentane-2,4-dione
SpectraBase Compound ID 4xbOuWQwE9Z
InChI InChI=1S/C26H23N3O3S/c1-14-5-9-18(10-6-14)20-13-21(19-11-7-15(2)8-12-19)27-24-22(20)25(32)29-26(28-24)33-23(16(3)30)17(4)31/h5-13,23H,1-4H3,(H,27,28,29,32)
InChIKey JKDXXCDYXFMYAQ-UHFFFAOYSA-N
Mol Weight 457.55 g/mol
Molecular Formula C26H23N3O3S
Exact Mass 457.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eYcPA14d45
Name 3-((4-Oxo-5,7-di-p-tolyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)thio)pentane-2,4-dione
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23N3O3S
InChI InChI=1S/C26H23N3O3S/c1-14-5-9-18(10-6-14)20-13-21(19-11-7-15(2)8-12-19)27-24-22(20)25(32)29-26(28-24)33-23(16(3)30)17(4)31/h5-13,23H,1-4H3,(H,27,28,29,32)
InChIKey JKDXXCDYXFMYAQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2699
Molecular Weight 457.548 g/mol
SMILES N1C(c2c(N=C1SC(C(C)=O)C(C)=O)nc(cc2-c1ccc(cc1)C)-c1ccc(cc1)C)=O
SPLASH splash10-0udm-1930100000-dd5527622334632bbf69
Source of Spectrum Y-54-1250-19a
Wiley ID 1878131