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2-PHENYL-3-HYDROXY-1,5-BENZOXATHIEPINE
SpectraBase Compound ID 6aN5JF7j1fK
InChI InChI=1S/C15H14O2S/c16-12-10-18-14-9-5-4-8-13(14)17-15(12)11-6-2-1-3-7-11/h1-9,12,15-16H,10H2
InChIKey XCTQDTRJNUAACZ-UHFFFAOYSA-N
Mol Weight 258.33 g/mol
Molecular Formula C15H14O2S
Exact Mass 258.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEZtCcSXMt9
Name 2-PHENYL-3-HYDROXY-1,5-BENZOXATHIEPINE
Comments GI
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H14O2S
InChI InChI=1S/C15H14O2S/c16-12-10-18-14-9-5-4-8-13(14)17-15(12)11-6-2-1-3-7-11/h1-9,12,15-16H,10H2
InChIKey XCTQDTRJNUAACZ-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference S.CABIDDU, S.MELIS, F.SOTGIU, G.CERIONI (1983) Phosphorus and Sulfur: v.14, N2,151-156.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d