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10-.alpha.-[N-(2'-cyanoethenyl)amino]acetyl-10H-phenothiazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

10-.alpha.-[N-(2'-cyanoethenyl)amino]acetyl-10H-phenothiazine
SpectraBase Compound ID 6A1XrGsJaxo
InChI InChI=1S/C17H13N3OS/c18-10-5-11-19-12-17(21)20-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)20/h1-9,11,19H,12H2/b11-5+
InChIKey OCRCUGUDKGSJOU-VZUCSPMQSA-N
Mol Weight 307.37 g/mol
Molecular Formula C17H13N3OS
Exact Mass 307.077933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fz2Yo4bmFML
Name 10-.alpha.-[N-(2'-Cyanoethenyl)amino]acetyl-10H-phenothiazine
Comments Computed using HOSE algorithm
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Exact Mass 307.077933224 u
Formula C17H13N3OS
InChI InChI=1S/C17H13N3OS/c18-10-5-11-19-12-17(21)20-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)20/h1-9,11,19H,12H2/b11-5+
InChIKey OCRCUGUDKGSJOU-VZUCSPMQSA-N
Molecular Weight 307.371 g/mol
SMILES C1=2N(C=3C(SC2C=CC=C1)=CC=CC3)C(=O)CN\C=C\C#N