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3-HYDROXY-1,5-BENZOXATHIEPINE
SpectraBase Compound ID 4jQgqJV2fLa
InChI InChI=1S/C9H10O2S/c10-7-5-11-8-3-1-2-4-9(8)12-6-7/h1-4,7,10H,5-6H2
InChIKey SJVUEBATKZVGJY-UHFFFAOYSA-N
Mol Weight 182.24 g/mol
Molecular Formula C9H10O2S
Exact Mass 182.040151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KuCmMLEDD4
Name 3-HYDROXY-1,5-BENZOXATHIEPINE
Comments EO
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H10O2S
InChI InChI=1S/C9H10O2S/c10-7-5-11-8-3-1-2-4-9(8)12-6-7/h1-4,7,10H,5-6H2
InChIKey SJVUEBATKZVGJY-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