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2-Phenyl-6-methyl-thiochromanone 1-oxide
SpectraBase Compound ID 3VmO4oNgwpW
InChI InChI=1S/C16H14O2S/c1-11-7-8-15-13(9-11)14(17)10-16(19(15)18)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKey OPGNNJLFQRGUHX-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C16H14O2S
Exact Mass 270.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9o7b7qtwsKg
Name 2-Phenyl-6-methyl-thiochromanone 1-oxide
CAS Registry Number 29976-36-1
Comments DIASTEREOMERIC MIXTURE, LOW FIELD RESONANCES APPROXIMATE VALUES BETWEEN 127.2 AND 135.7 PPM ARBITRARILY ASSIGNED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14O2S
InChI InChI=1S/C16H14O2S/c1-11-7-8-15-13(9-11)14(17)10-16(19(15)18)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKey OPGNNJLFQRGUHX-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