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Phenylsulfanyl-acetic acid [4-(methyl-phenyl-amino)-benzylidene]-hydrazide
SpectraBase Compound ID DvFF50U1zvH
InChI InChI=1S/C22H21N3OS/c1-25(19-8-4-2-5-9-19)20-14-12-18(13-15-20)16-23-24-22(26)17-27-21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,24,26)/b23-16+
InChIKey VYNYRXJLAPXQGI-XQNSMLJCSA-N
Mol Weight 375.49 g/mol
Molecular Formula C22H21N3OS
Exact Mass 375.140533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8IWQHD3IRa
Name Phenylsulfanyl-acetic acid [4-(methyl-phenyl-amino)-benzylidene]-hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 375.140533481 u
Formula C22H21N3OS
InChI InChI=1S/C22H21N3OS/c1-25(19-8-4-2-5-9-19)20-14-12-18(13-15-20)16-23-24-22(26)17-27-21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,24,26)/b23-16+
InChIKey VYNYRXJLAPXQGI-XQNSMLJCSA-N
Molecular Weight 375.490 g/mol
SMILES C(N\N=C\C1=CC=C(N(C2=CC=CC=C2)C)C=C1)(=O)CSC1=CC=CC=C1