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1,3-Dibenzyl-5-(2-(4-(dimethylamino)phenyl)-4-oxothiazolidin-3-yl)pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 6yx4KgTrBWi
InChI InChI=1S/C29H28N4O3S/c1-30(2)24-15-13-23(14-16-24)28-33(26(34)20-37-28)25-19-31(17-21-9-5-3-6-10-21)29(36)32(27(25)35)18-22-11-7-4-8-12-22/h3-16,19,28H,17-18,20H2,1-2H3
InChIKey QNNLXAHZHDVQCM-UHFFFAOYSA-N
Mol Weight 512.63 g/mol
Molecular Formula C29H28N4O3S
Exact Mass 512.188212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnAozzIgXDM
Name 1,3-Dibenzyl-5-(2-(4-(dimethylamino)phenyl)-4-oxothiazolidin-3-yl)pyrimidine-2,4(1H,3H)-dione
Appearance Pale yellow crystal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28N4O3S
InChI InChI=1S/C29H28N4O3S/c1-30(2)24-15-13-23(14-16-24)28-33(26(34)20-37-28)25-19-31(17-21-9-5-3-6-10-21)29(36)32(27(25)35)18-22-11-7-4-8-12-22/h3-16,19,28H,17-18,20H2,1-2H3
InChIKey QNNLXAHZHDVQCM-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3589
Molecular Weight 512.628 g/mol
SMILES C1(N(C(C(=CN1Cc1ccccc1)N1C(CSC1c1ccc(cc1)N(C)C)=O)=O)Cc1ccccc1)=O
SPLASH splash10-052f-8009200000-71d87f1b26c740e035e9
Source of Spectrum Y-56-SM15-6d
Wiley ID 1861214