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5-[1-(Aminocarbonylazo)ethylene]-2-phenylthiazolin-4-one
SpectraBase Compound ID Ekx2WrwAjVG
InChI InChI=1S/C12H12N4O2S/c1-7(15-16-12(13)18)9-10(17)14-11(19-9)8-5-3-2-4-6-8/h2-6,9H,1H3,(H3,13,16,18)/b15-7+
InChIKey FMPJLGMZGDAVFD-VIZOYTHASA-N
Mol Weight 276.31 g/mol
Molecular Formula C12H12N4O2S
Exact Mass 276.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ck3QGk7REE2
Name 5-[1-(Aminocarbonylazo)ethylene]-2-phenylthiazolin-4-one
Alternate Name(s) [(E)-1-(4-oxo-2-phenyl-5-thiazolyl)ethylideneamino]urea [(E)-1-(4-oxo-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]urea [(E)-1-(4-oxo-2-phenyl-thiazol-5-yl)ethylideneamino]urea 1-[(E)-1-(4-oxidanylidene-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]urea
Comments Less than 3 mono-isotopic peaks
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Formula C12H12N4O2S
InChI InChI=1S/C12H12N4O2S/c1-7(15-16-12(13)18)9-10(17)14-11(19-9)8-5-3-2-4-6-8/h2-6,9H,1H3,(H3,13,16,18)/b15-7+
InChIKey FMPJLGMZGDAVFD-VIZOYTHASA-N
Molecular Weight 276.314 g/mol
SMILES N(C(=O)N)\N=C\(C1C(N=C(S1)c1ccccc1)=O)C
SPLASH splash10-001i-0090000000-b7d3a41efbc2a0c18f8c
Source of Spectrum KC-57-5862-18
Wiley ID 1624964