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1-{α-[(m-anisidino)mercaptomethylene]-p-nitrophenacyl}pyridinium hydroxide, inner salt
SpectraBase Compound ID 6w9kkBzOhcv
InChI InChI=1S/C21H17N3O4S/c1-28-18-7-5-6-16(14-18)22-21(29)19(23-12-3-2-4-13-23)20(25)15-8-10-17(11-9-15)24(26)27/h2-14H,1H3,(H-,22,25,29)
InChIKey GIFJVYIVEXRHBI-UHFFFAOYSA-N
Mol Weight 407.44 g/mol
Molecular Formula C21H17N3O4S
Exact Mass 407.093977 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56fSpT90jCC
Name 1-{α-[(m-anisidino)mercaptomethylene]-p-nitrophenacyl}pyridinium hydroxide, inner salt
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Formula C21H17N3O4S
InChI InChI=1S/C21H17N3O4S/c1-28-18-7-5-6-16(14-18)22-21(29)19(23-12-3-2-4-13-23)20(25)15-8-10-17(11-9-15)24(26)27/h2-14H,1H3,(H-,22,25,29)
InChIKey GIFJVYIVEXRHBI-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 22031M
Solvent DMSO-d6