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2-(2-Cyano-2-(3,5-diphenylthiazol-2[3H]-ylidene)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID LjkKxEo3fVp
InChI InChI=1S/C28H24N4O2S2/c29-16-21(26(34)31-27-24(25(30)33)20-14-8-3-9-15-22(20)35-27)28-32(19-12-6-2-7-13-19)17-23(36-28)18-10-4-1-5-11-18/h1-2,4-7,10-13,17H,3,8-9,14-15H2,(H2,30,33)(H,31,34)
InChIKey UAKNDLUCEVBBLX-UHFFFAOYSA-N
Mol Weight 512.65 g/mol
Molecular Formula C28H24N4O2S2
Exact Mass 512.134068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vJsB9qtTGr
Name 2-(2-Cyano-2-(3,5-diphenylthiazol-2[3H]-ylidene)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Appearance Pale yellow powder
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Formula C28H24N4O2S2
InChI InChI=1S/C28H24N4O2S2/c29-16-21(26(34)31-27-24(25(30)33)20-14-8-3-9-15-22(20)35-27)28-32(19-12-6-2-7-13-19)17-23(36-28)18-10-4-1-5-11-18/h1-2,4-7,10-13,17H,3,8-9,14-15H2,(H2,30,33)(H,31,34)
InChIKey UAKNDLUCEVBBLX-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4085
Molecular Weight 512.646 g/mol
SMILES NC(c1c2CCCCCc2sc1NC(C(=C1N(C=C(S1)c1ccccc1)c1ccccc1)C#N)=O)=O
SPLASH splash10-02ti-2649510000-2f5473e87f9de99886ad
Source of Spectrum Y-57-3671-18
Wiley ID 1859855