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2-Cyano-2-(3,4-diphenylthiazol-2(3H)-ylidene)-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)acetamide
SpectraBase Compound ID GrTUKGMdRth
InChI InChI=1S/C26H12Br4N4O3S/c27-19-17-18(20(28)22(30)21(19)29)25(37)34(24(17)36)32-23(35)15(11-31)26-33(14-9-5-2-6-10-14)16(12-38-26)13-7-3-1-4-8-13/h1-10,12H,(H,32,35)
InChIKey GUHRVVRCRQGMMA-UHFFFAOYSA-N
Mol Weight 780.08 g/mol
Molecular Formula C26H12Br4N4O3S
Exact Mass 775.736363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DljXdN3c0zK
Name 2-Cyano-2-(3,4-diphenylthiazol-2(3H)-ylidene)-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)acetamide
Appearance Brown crystlas
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Formula C26H12Br4N4O3S
InChI InChI=1S/C26H12Br4N4O3S/c27-19-17-18(20(28)22(30)21(19)29)25(37)34(24(17)36)32-23(35)15(11-31)26-33(14-9-5-2-6-10-14)16(12-38-26)13-7-3-1-4-8-13/h1-10,12H,(H,32,35)
InChIKey GUHRVVRCRQGMMA-UHFFFAOYSA-N
Instrument Name LCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3436
Molecular Weight 780.083 g/mol
SMILES N(N1C(c2c(c(c(c(c2C1=O)Br)Br)Br)Br)=O)C(C(C#N)=C1SC=C(N1c1ccccc1)c1ccccc1)=O
SPLASH splash10-002g-4239013300-c025ef7d702850d9e89d
Source of Spectrum Y-56-SM2-5
Wiley ID 1859419