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3-METHYLTHIOCHROMAN-4-ONE, 1-OXIDE

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3-METHYLTHIOCHROMAN-4-ONE, 1-OXIDE
SpectraBase Compound ID DEzmSXVsEwt
InChI InChI=1S/C10H10O2S/c1-7-6-13(12)9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3
InChIKey LGEMGPGNKMFLDE-UHFFFAOYSA-N
Mol Weight 194.25 g/mol
Molecular Formula C10H10O2S
Exact Mass 194.040151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpXSidvOSZn
Name 3-Methyl-thiochromanone 1-oxide
CAS Registry Number 29373-04-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H10O2S
InChI InChI=1S/C10H10O2S/c1-7-6-13(12)9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3
InChIKey LGEMGPGNKMFLDE-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