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3-ETHYL-3-HYDROXY-1,5-BENZOXATHIEPINE
SpectraBase Compound ID 19fVxCjn7ji
InChI InChI=1S/C11H14O2S/c1-2-11(12)7-13-9-5-3-4-6-10(9)14-8-11/h3-6,12H,2,7-8H2,1H3
InChIKey SPTNMMRAINOTAE-UHFFFAOYSA-N
Mol Weight 210.29 g/mol
Molecular Formula C11H14O2S
Exact Mass 210.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNW59MYiJK3
Name 3-ETHYL-3-HYDROXY-1,5-BENZOXATHIEPINE
Comments 9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H14O2S
InChI InChI=1S/C11H14O2S/c1-2-11(12)7-13-9-5-3-4-6-10(9)14-8-11/h3-6,12H,2,7-8H2,1H3
InChIKey SPTNMMRAINOTAE-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