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Ethyl 3-oxo-2-((4-oxo-5,7-di-p-tolyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)thio) butanoate
SpectraBase Compound ID 8DXOYC0Tpel
InChI InChI=1S/C27H25N3O4S/c1-5-34-26(33)23(17(4)31)35-27-29-24-22(25(32)30-27)20(18-10-6-15(2)7-11-18)14-21(28-24)19-12-8-16(3)9-13-19/h6-14,23H,5H2,1-4H3,(H,28,29,30,32)
InChIKey JOBLIBMPJTVBEX-UHFFFAOYSA-N
Mol Weight 487.57 g/mol
Molecular Formula C27H25N3O4S
Exact Mass 487.156577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lVRIYYFXNW
Name Ethyl 3-oxo-2-((4-oxo-5,7-di-p-tolyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)thio) butanoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N3O4S
InChI InChI=1S/C27H25N3O4S/c1-5-34-26(33)23(17(4)31)35-27-29-24-22(25(32)30-27)20(18-10-6-15(2)7-11-18)14-21(28-24)19-12-8-16(3)9-13-19/h6-14,23H,5H2,1-4H3,(H,28,29,30,32)
InChIKey JOBLIBMPJTVBEX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2699
Molecular Weight 487.574 g/mol
SMILES N1C(c2c(N=C1SC(C(OCC)=O)C(C)=O)nc(cc2-c1ccc(cc1)C)-c1ccc(cc1)C)=O
SPLASH splash10-02tc-4933100000-56c61c90fc16a2f40083
Source of Spectrum Y-54-1250-19b
Wiley ID 1878132