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(3E)-1-(4-nitrophenyl)-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
SpectraBase Compound ID IXLQqdQvUyP
InChI InChI=1S/C12H9N3O3S/c16-13-8-9-2-1-7-14(12(9)19)10-3-5-11(6-4-10)15(17)18/h1-8,16H/b13-8+
InChIKey KGOKJGDNUHBSIV-MDWZMJQESA-N
Mol Weight 275.28 g/mol
Molecular Formula C12H9N3O3S
Exact Mass 275.036462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lj7qzGVxGX
Name (3E)-1-(4-nitrophenyl)-2-sulfanylidene-3-pyridinecarboxaldehyde oxime
CAS Registry Number 91540-37-3
Comments Less than 3 mono-isotopic peaks
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Formula C12H9N3O3S
InChI InChI=1S/C12H9N3O3S/c16-13-8-9-2-1-7-14(12(9)19)10-3-5-11(6-4-10)15(17)18/h1-8,16H/b13-8+
InChIKey KGOKJGDNUHBSIV-MDWZMJQESA-N
Molecular Weight 275.282 g/mol
SMILES O\N=C\C=1C(N(c2ccc(N(=O)=O)cc2)C=CC1)=S
SPLASH splash10-0a4i-0090000000-cb7b8a59ad01d20d5e24
Source of Spectrum Y-21-41-1
Synonyms (3E)-1-(4-nitrophenyl)-2-thioxo-nicotinaldehyde oxime (3E)-1-(4-nitrophenyl)-2-thioxo-pyridine-3-carbaldehyde oxime 3-[(E)-hydroxyiminomethyl]-1-(4-nitrophenyl)pyridine-2-thione
Wiley ID 1278872