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5-Chloro-3-(4-chlorobenzyl)-6-(4-chlorophenyl)-2-thioxotetrahydro-pyrimidin-4(1H)-one
SpectraBase Compound ID 2a27UonXYkm
InChI InChI=1S/C17H13Cl3N2OS/c18-12-5-1-10(2-6-12)9-22-16(23)14(20)15(21-17(22)24)11-3-7-13(19)8-4-11/h1-8,14-15H,9H2,(H,21,24)
InChIKey ZBZRPNHFBYFTOD-UHFFFAOYSA-N
Mol Weight 399.72 g/mol
Molecular Formula C17H13Cl3N2OS
Exact Mass 397.981417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGmwGRTyN5B
Name 5-Chloro-3-(4-chlorobenzyl)-6-(4-chlorophenyl)-2-thioxotetrahydro-pyrimidin-4(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13Cl3N2OS
InChI InChI=1S/C17H13Cl3N2OS/c18-12-5-1-10(2-6-12)9-22-16(23)14(20)15(21-17(22)24)11-3-7-13(19)8-4-11/h1-8,14-15H,9H2,(H,21,24)
InChIKey ZBZRPNHFBYFTOD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201400351
Molecular Weight 399.723 g/mol
SMILES N1C(N(C(C(C1c1ccc(cc1)Cl)Cl)=O)Cc1ccc(cc1)Cl)=S
SPLASH splash10-014j-0927200000-c1a6a8e407afcc655b5f
Source of Spectrum QA-62-510-16
Synonyms 5-Chloro-3-(4-chlorobenzyl)-6-(4-chlorophenyl)-2-thioxotetrahydropyrimidin-4(1H)-one
Wiley ID 1796648