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4-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2-bromophenyl 1-naphthoate
SpectraBase Compound ID 99Ice1kmORB
InChI InChI=1S/C19H14BrN3O2S/c20-16-10-12(11-22-23-19(21)26)8-9-17(16)25-18(24)15-7-3-5-13-4-1-2-6-14(13)15/h1-11H,(H3,21,23,26)/b22-11+
InChIKey LOPGUXHTTAMRFU-SSDVNMTOSA-N
Mol Weight 428.3 g/mol
Molecular Formula C19H14BrN3O2S
Exact Mass 426.999011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eCFJd4fURC
Name 4-{(E)-[(aminocarbothioyl)hydrazono]methyl}-2-bromophenyl 1-naphthoate
Comments Computed using HOSE algorithm
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Exact Mass 426.999010875 u
Formula C19H14BrN3O2S
InChI InChI=1S/C19H14BrN3O2S/c20-16-10-12(11-22-23-19(21)26)8-9-17(16)25-18(24)15-7-3-5-13-4-1-2-6-14(13)15/h1-11H,(H3,21,23,26)/b22-11+
InChIKey LOPGUXHTTAMRFU-SSDVNMTOSA-N
Molecular Weight 428.304 g/mol
SMILES N(C(=S)N)\N=C\C=1C=CC(OC(C=2C=3C(=CC=CC3)C=CC2)=O)=C(C1)Br