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4-(4-Methoxyphenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile
SpectraBase Compound ID AO2nxCSlxZe
InChI InChI=1S/C12H11N3O2S/c1-17-8-4-2-7(3-5-8)10-9(6-13)11(16)15-12(18)14-10/h2-5,9-10H,1H3,(H2,14,15,16,18)
InChIKey HVRZSNNECMTIES-UHFFFAOYSA-N
Mol Weight 261.3 g/mol
Molecular Formula C12H11N3O2S
Exact Mass 261.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LoJKAMmdBHR
Name 4-(4-Methoxyphenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O2S
InChI InChI=1S/C12H11N3O2S/c1-17-8-4-2-7(3-5-8)10-9(6-13)11(16)15-12(18)14-10/h2-5,9-10H,1H3,(H2,14,15,16,18)
InChIKey HVRZSNNECMTIES-UHFFFAOYSA-N
Molecular Weight 261.299 g/mol
SMILES N1C(NC(c2ccc(cc2)OC)C(C1=O)C#N)=S
SPLASH splash10-03k9-0940000000-0451296fb348a8d2b56e
Source of Spectrum G2-34-2629-4
Synonyms 4-(4-Methoxyphenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile 4-(4-Methoxyphenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile 4-keto-6-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carbonitrile
Wiley ID 1582450