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2-[(2-PHENYLETHYL)-THIO]-4H-3,1-BENZOTHIAZIN-4-ONE
SpectraBase Compound ID 6yT8Esvys0b
InChI InChI=1S/C16H13NOS2/c18-15-13-8-4-5-9-14(13)17-16(20-15)19-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey JTQAUZJLJWNMAI-UHFFFAOYSA-N
Mol Weight 299.41 g/mol
Molecular Formula C16H13NOS2
Exact Mass 299.043856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jw0XEK00Itg
Name 2-[(2-PHENYLETHYL)-THIO]-4H-3,1-BENZOTHIAZIN-4-ONE
Compound Number 5L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13NOS2
InChI InChI=1S/C16H13NOS2/c18-15-13-8-4-5-9-14(13)17-16(20-15)19-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey JTQAUZJLJWNMAI-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 299.405 g/mol
Sample ID 69073
Solvent CDCl3