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Pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[5-(4-chlorophenylthio)-2-furfurylidene]-
SpectraBase Compound ID 8N7Q4HT8e6y
InChI InChI=1S/C15H9ClN2O4S/c16-8-1-4-10(5-2-8)23-12-6-3-9(22-12)7-11-13(19)17-15(21)18-14(11)20/h1-7H,(H2,17,18,19,20,21)
InChIKey KXBVYOABAOTVEZ-UHFFFAOYSA-N
Mol Weight 348.76 g/mol
Molecular Formula C15H9ClN2O4S
Exact Mass 347.997156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78pG3vDwGUV
Name Pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[5-(4-chlorophenylthio)-2-furfurylidene]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.997155648 u
Formula C15H9ClN2O4S
InChI InChI=1S/C15H9ClN2O4S/c16-8-1-4-10(5-2-8)23-12-6-3-9(22-12)7-11-13(19)17-15(21)18-14(11)20/h1-7H,(H2,17,18,19,20,21)
InChIKey KXBVYOABAOTVEZ-UHFFFAOYSA-N
Molecular Weight 348.760 g/mol
SMILES C1(C(NC(NC1=O)=O)=O)=CC=1OC(SC=2C=CC(=CC2)Cl)=CC1