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7-METHYL-3-HYDROXY-1,5-BENZOXATHIEPINE

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7-METHYL-3-HYDROXY-1,5-BENZOXATHIEPINE
SpectraBase Compound ID JspLBmEagLA
InChI InChI=1S/C10H12O2S/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4,8,11H,5-6H2,1H3
InChIKey RMDNXKNXHRUSPZ-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IcDvZauRuUc
Name 7-METHYL-3-HYDROXY-1,5-BENZOXATHIEPINE
Comments C
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4,8,11H,5-6H2,1H3
InChIKey RMDNXKNXHRUSPZ-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