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XHPUHYGYTQUAMV-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

XHPUHYGYTQUAMV-UHFFFAOYSA-N
SpectraBase Compound ID Dl9hEZiCuU6
InChI InChI=1S/C11H6ClN3OS/c12-7-3-1-6(2-4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)
InChIKey XHPUHYGYTQUAMV-UHFFFAOYSA-N
Mol Weight 263.7 g/mol
Molecular Formula C11H6ClN3OS
Exact Mass 262.992011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJLiFc0sK12
Name 6-(4-Chlorophenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile
Alternate Name(s) 6-(4-Chlorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(4-Chlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(4-Chlorophenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6ClN3OS
InChI InChI=1S/C11H6ClN3OS/c12-7-3-1-6(2-4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)
InChIKey XHPUHYGYTQUAMV-UHFFFAOYSA-N
Molecular Weight 263.702 g/mol
SMILES N1C(C(=C(NC1=S)c1ccc(cc1)Cl)C#N)=O
SPLASH splash10-03dr-0390000000-287af95513b9a8cb3abd
Source of Spectrum SO-1979-288-4
Wiley ID 1537248