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3-Methoxycarbonyl-thiochromanone 1,1-dioxide
SpectraBase Compound ID 15BhlHuZPUL
InChI InChI=1S/C11H10O5S/c1-16-11(13)8-6-17(14,15)9-5-3-2-4-7(9)10(8)12/h2-5,12H,6H2,1H3
InChIKey JZUVOLFDJCQFGA-UHFFFAOYSA-N
Mol Weight 254.26 g/mol
Molecular Formula C11H10O5S
Exact Mass 254.024895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMS6adDGqLo
Name 3-Methoxycarbonyl-thiochromanone 1,1-dioxide
CAS Registry Number 50845-40-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H10O5S
InChI InChI=1S/C11H10O5S/c1-16-11(13)8-6-17(14,15)9-5-3-2-4-7(9)10(8)12/h2-5,12H,6H2,1H3
InChIKey JZUVOLFDJCQFGA-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference M.S. Chauhan, I.W. Still, Can. J. Chem. 53, 2880 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3