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3-(4-Chlorophenyl)-5-benzoylamino-thiouracile
SpectraBase Compound ID J3OFN1emaSu
InChI InChI=1S/C17H12ClN3O2S/c18-12-6-8-13(9-7-12)21-16(23)14(10-19-17(21)24)20-15(22)11-4-2-1-3-5-11/h1-10H,(H,19,24)(H,20,22)
InChIKey LNEFKTHELJKJHC-UHFFFAOYSA-N
Mol Weight 357.82 g/mol
Molecular Formula C17H12ClN3O2S
Exact Mass 357.033876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwaJNqHzO8m
Name 3-(4-Chlorophenyl)-5-benzoylamino-thiouracile
Alternate Name(s) N-[3-(4-chlorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClN3O2S
InChI InChI=1S/C17H12ClN3O2S/c18-12-6-8-13(9-7-12)21-16(23)14(10-19-17(21)24)20-15(22)11-4-2-1-3-5-11/h1-10H,(H,19,24)(H,20,22)
InChIKey LNEFKTHELJKJHC-UHFFFAOYSA-N
Molecular Weight 357.815 g/mol
SMILES N(C=1C(N(C(NC1)=S)c1ccc(cc1)Cl)=O)C(=O)c1ccccc1
SPLASH splash10-015i-0951000000-8087f68e7b9f4257d3e6
Source of Spectrum SO-0-1171-5
Wiley ID 1541826