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2-Chloro-10-phenothiazinepropionic acid, (p-bromo-alpha-methylbenzylidene)hydrazide
SpectraBase Compound ID EJe08FXsaBP
InChI InChI=1S/C23H19BrClN3OS/c1-15(16-6-8-17(24)9-7-16)26-27-23(29)12-13-28-19-4-2-3-5-21(19)30-22-11-10-18(25)14-20(22)28/h2-11,14H,12-13H2,1H3,(H,27,29)/b26-15+
InChIKey WPCHEZNHIMWDAD-CVKSISIWSA-N
Mol Weight 500.84 g/mol
Molecular Formula C23H19BrClN3OS
Exact Mass 499.012074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCwauTzzjNT
Name 2-Chloro-10-phenothiazinepropionic acid, (p-bromo-alpha-methylbenzylidene)hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 499.012074117 u
Formula C23H19BrClN3OS
InChI InChI=1S/C23H19BrClN3OS/c1-15(16-6-8-17(24)9-7-16)26-27-23(29)12-13-28-19-4-2-3-5-21(19)30-22-11-10-18(25)14-20(22)28/h2-11,14H,12-13H2,1H3,(H,27,29)/b26-15+
InChIKey WPCHEZNHIMWDAD-CVKSISIWSA-N
Molecular Weight 500.842 g/mol
SMILES N(\N=C\(C=1C=CC(=CC1)Br)C)C(CCN1C=2C=C(C=CC2SC=2C=CC=CC12)Cl)=O