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2-(BENZYLTHIO)-4H-3,1-BENZOTHIAZIN-4-ONE
SpectraBase Compound ID DFyro8gEQsv
InChI InChI=1S/C15H11NOS2/c17-14-12-8-4-5-9-13(12)16-15(19-14)18-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey IYGHMCFXJOIICG-UHFFFAOYSA-N
Mol Weight 285.38 g/mol
Molecular Formula C15H11NOS2
Exact Mass 285.028206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JCOSAD2ayb
Name 2-(BENZYLTHIO)-4H-3,1-BENZOTHIAZIN-4-ONE
Compound Number 5K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11NOS2
InChI InChI=1S/C15H11NOS2/c17-14-12-8-4-5-9-13(12)16-15(19-14)18-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey IYGHMCFXJOIICG-UHFFFAOYSA-N
Literature Reference Author H.G.HAECKER,F.GRUNDMANN,F.LOHR,P.A.OTTERSBACH,J.ZHOU,G.SCHNA KENBURG,M.GUETSCHOW
Literature Reference Citation MOLECULES,14,378(2009)
Literature Reference DOI 10.3390/molecules14010378
Molecular Weight 285.378 g/mol
Sample ID 69072
Solvent DMSO-D6