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4-(3-bromophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
SpectraBase Compound ID KVG6gOxwcU1
InChI InChI=1S/C11H8BrN3OS/c12-7-3-1-2-6(4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4,8-9H,(H2,14,15,16,17)
InChIKey DQFPYQHGZBDEDL-UHFFFAOYSA-N
Mol Weight 310.17 g/mol
Molecular Formula C11H8BrN3OS
Exact Mass 308.957146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2S7BomK9UMy
Name 4-(3-bromophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8BrN3OS
InChI InChI=1S/C11H8BrN3OS/c12-7-3-1-2-6(4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4,8-9H,(H2,14,15,16,17)
InChIKey DQFPYQHGZBDEDL-UHFFFAOYSA-N
Molecular Weight 310.169 g/mol
SMILES N1C(NC(c2cc(Br)ccc2)C(C1=O)C#N)=S
SPLASH splash10-0m1i-0915000000-d4fc81ef95feb1ef4eaa
Source of Spectrum G2-34-2630-4
Synonyms 4-(3-bromophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(3-bromophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(3-bromophenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile
Wiley ID 1582445