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4-(4-nitrophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile
SpectraBase Compound ID BA1GXR3nDEu
InChI InChI=1S/C11H8N4O3S/c12-5-8-9(13-11(19)14-10(8)16)6-1-3-7(4-2-6)15(17)18/h1-4,8-9H,(H2,13,14,16,19)
InChIKey NNXKPZFZHAHQQK-UHFFFAOYSA-N
Mol Weight 276.27 g/mol
Molecular Formula C11H8N4O3S
Exact Mass 276.031711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhJhfVEvpwn
Name 4-(4-nitrophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N4O3S
InChI InChI=1S/C11H8N4O3S/c12-5-8-9(13-11(19)14-10(8)16)6-1-3-7(4-2-6)15(17)18/h1-4,8-9H,(H2,13,14,16,19)
InChIKey NNXKPZFZHAHQQK-UHFFFAOYSA-N
Molecular Weight 276.270 g/mol
SMILES N1C(NC(c2ccc(N(=O)=O)cc2)C(C1=O)C#N)=S
SPLASH splash10-0kdi-3970000000-ec3527d38911b3455212
Source of Spectrum G2-34-2630-4
Synonyms 4-(4-nitrophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(4-nitrophenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile 4-keto-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carbonitrile
Wiley ID 1582443