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6-(2-Fluorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
SpectraBase Compound ID ERleC1xb5IK
InChI InChI=1S/C11H6FN3OS/c12-8-4-2-1-3-6(8)9-7(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)
InChIKey LVYHOTADWZMGQB-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C11H6FN3OS
Exact Mass 247.021561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6B2JiegKir8
Name 6-(2-Fluorophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CAS Registry Number 340968-11-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6FN3OS
InChI InChI=1S/C11H6FN3OS/c12-8-4-2-1-3-6(8)9-7(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)
InChIKey LVYHOTADWZMGQB-UHFFFAOYSA-N
Molecular Weight 247.247 g/mol
SMILES N1C(C(=C(NC1=S)c1c(F)cccc1)C#N)=O
SPLASH splash10-00di-6920000000-44ac8d5e87e0af38a13c
Source of Spectrum AD-0-2532-0
Synonyms 6-(2-fluorophenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile 6-(2-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile 6-(2-fluorophenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile Pyrimidine-5-carbonitrile, 1,2,3,4-tetrahydro-6-(2-fluorophenyl)-4-oxo-2-thioxo-
Wiley ID 1426368