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3,5-Dioxo-4-(4-phenylthiazol-2-yl)-2,3,4,5-tetrahydro-1H-1,4-diazepine-6-carbonitrile
SpectraBase Compound ID 8LheO8PxDSW
InChI InChI=1S/C15H10N4O2S/c16-6-11-7-17-8-13(20)19(14(11)21)15-18-12(9-22-15)10-4-2-1-3-5-10/h1-5,7,9,17H,8H2
InChIKey LDFJSFOAFUVOEX-UHFFFAOYSA-N
Mol Weight 310.33 g/mol
Molecular Formula C15H10N4O2S
Exact Mass 310.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BvG9ANCZpG
Name 3,5-Dioxo-4-(4-phenylthiazol-2-yl)-2,3,4,5-tetrahydro-1H-1,4-diazepine-6-carbonitrile
Appearance White crystals
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Formula C15H10N4O2S
InChI InChI=1S/C15H10N4O2S/c16-6-11-7-17-8-13(20)19(14(11)21)15-18-12(9-22-15)10-4-2-1-3-5-10/h1-5,7,9,17H,8H2
InChIKey LDFJSFOAFUVOEX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 212
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.218
SMILES N1C=C(C(N(C(C1)=O)c1scc(n1)-c1ccccc1)=O)C#N
SPLASH splash10-0uk9-4920000000-eeb0b384bb9f0d74815b
Source of Spectrum ARK-2011-236-14
Wiley ID 1864376