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6-(2,4-Dichlorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
SpectraBase Compound ID IIbbqxtYu85
InChI InChI=1S/C11H5Cl2N3OS/c12-5-1-2-6(8(13)3-5)9-7(4-14)10(17)16-11(18)15-9/h1-3H,(H2,15,16,17,18)
InChIKey HZAJBIJQIPULCM-UHFFFAOYSA-N
Mol Weight 298.15 g/mol
Molecular Formula C11H5Cl2N3OS
Exact Mass 296.953038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABOAZIIX8IL
Name 6-(2,4-Dichlorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CAS Registry Number 181175-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H5Cl2N3OS
InChI InChI=1S/C11H5Cl2N3OS/c12-5-1-2-6(8(13)3-5)9-7(4-14)10(17)16-11(18)15-9/h1-3H,(H2,15,16,17,18)
InChIKey HZAJBIJQIPULCM-UHFFFAOYSA-N
Molecular Weight 298.147 g/mol
SMILES N1C(C(=C(NC1=S)c1c(cc(cc1)Cl)Cl)C#N)=O
SPLASH splash10-00ds-4940000000-15edbe5fc4ab2b6aa8b4
Source of Spectrum AD-0-2532-0
Synonyms 6-(2,4-dichlorophenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile 6-(2,4-dichlorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(2,4-dichlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(2,4-dichlorophenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile Pyrimidine-5-carbonitrile, 1,2,3,4-tetrahydro-6-(2,4-dichlorophenyl)-4-oxo-2-thioxo-
Wiley ID 1431754