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5-((E)-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono}methyl)-2-methoxyphenyl benzoate
SpectraBase Compound ID F2BFmUymAjE
InChI InChI=1S/C24H19N3O4S2/c1-30-19-12-11-16(13-20(19)31-23(29)17-7-3-2-4-8-17)14-25-27-22(28)15-32-24-26-18-9-5-6-10-21(18)33-24/h2-14H,15H2,1H3,(H,27,28)/b25-14+
InChIKey NXHKPHNRFFOEQF-AFUMVMLFSA-N
Mol Weight 477.55 g/mol
Molecular Formula C24H19N3O4S2
Exact Mass 477.081698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6RpHTxmKRn
Name 5-((E)-{[(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazono}methyl)-2-methoxyphenyl benzoate
Comments Computed using HOSE algorithm
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Exact Mass 477.081698448 u
Formula C24H19N3O4S2
InChI InChI=1S/C24H19N3O4S2/c1-30-19-12-11-16(13-20(19)31-23(29)17-7-3-2-4-8-17)14-25-27-22(28)15-32-24-26-18-9-5-6-10-21(18)33-24/h2-14H,15H2,1H3,(H,27,28)/b25-14+
InChIKey NXHKPHNRFFOEQF-AFUMVMLFSA-N
Molecular Weight 477.553 g/mol
SMILES N(\N=C\C1=CC(OC(=O)C2=CC=CC=C2)=C(C=C1)OC)C(CSC1=NC=2C=CC=CC2S1)=O