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Ethyl ({6-(3-hydroxyphenyl)-4-methyl-5-[3-phenylprop-2-enoyl]-1,6-dihydropyrimidin-2-yl}thio)acetate
SpectraBase Compound ID LhmaWyO7BLd
InChI InChI=1S/C24H24N2O4S/c1-3-30-21(29)15-31-24-25-16(2)22(20(28)13-12-17-8-5-4-6-9-17)23(26-24)18-10-7-11-19(27)14-18/h4-14,23,27H,3,15H2,1-2H3,(H,25,26)/b13-12+
InChIKey BBJZEVPIVUEBGM-OUKQBFOZSA-N
Mol Weight 436.53 g/mol
Molecular Formula C24H24N2O4S
Exact Mass 436.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lfGM3o4s11
Name Ethyl ({6-(3-hydroxyphenyl)-4-methyl-5-[3-phenylprop-2-enoyl]-1,6-dihydropyrimidin-2-yl}thio)acetate
Appearance Pale brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24N2O4S
InChI InChI=1S/C24H24N2O4S/c1-3-30-21(29)15-31-24-25-16(2)22(20(28)13-12-17-8-5-4-6-9-17)23(26-24)18-10-7-11-19(27)14-18/h4-14,23,27H,3,15H2,1-2H3,(H,25,26)/b13-12+
InChIKey BBJZEVPIVUEBGM-OUKQBFOZSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4350
Molecular Weight 436.526 g/mol
SMILES N1C(=NC(=C(C1c1cccc(c1)O)C(\C=C\c1ccccc1)=O)C)SCC(OCC)=O
SPLASH splash10-0a6r-9100000000-da29101e10982c7b2824
Source of Spectrum Y-58-2267-7
Wiley ID 1879346