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1,3-Benzodioxole-5-carboxaldehyde, (4,5-dihydro-4-oxo-2-thiazolyl)hydrazone
SpectraBase Compound ID K2d8ffAKgkY
InChI InChI=1S/C11H9N3O3S/c15-10-5-18-11(13-10)14-12-4-7-1-2-8-9(3-7)17-6-16-8/h1-4H,5-6H2,(H,13,14,15)/b12-4+
InChIKey HEMGUIVRQYTWGU-UUILKARUSA-N
Mol Weight 263.27 g/mol
Molecular Formula C11H9N3O3S
Exact Mass 263.036462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKnX96nVGUT
Name 1,3-Benzodioxole-5-carboxaldehyde, (4,5-dihydro-4-oxo-2-thiazolyl)hydrazone
Comments Computed using HOSE algorithm
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Exact Mass 263.036462333 u
Formula C11H9N3O3S
InChI InChI=1S/C11H9N3O3S/c15-10-5-18-11(13-10)14-12-4-7-1-2-8-9(3-7)17-6-16-8/h1-4H,5-6H2,(H,13,14,15)/b12-4+
InChIKey HEMGUIVRQYTWGU-UUILKARUSA-N
Molecular Weight 263.271 g/mol
SMILES N(\N=C\C1=CC=2OCOC2C=C1)C1=NC(=O)CS1