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6-Chloro-2-(4-methoxy-phenyl)-6-methyl-5,6,7,7a-tetrahydro-cyclopenta(B)-thiopyran-5-one
SpectraBase Compound ID J6EZzoBFRA6
InChI InChI=1S/C16H15ClO2S/c1-16(17)9-14-12(15(16)18)7-8-13(20-14)10-3-5-11(19-2)6-4-10/h3-8,14H,9H2,1-2H3
InChIKey LLDUYSDXRORCMX-UHFFFAOYSA-N
Mol Weight 306.81 g/mol
Molecular Formula C16H15ClO2S
Exact Mass 306.048129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Frgzy2V3ZN
Name 6-Chloro-2-(4-methoxy-phenyl)-6-methyl-5,6,7,7a-tetrahydro-cyclopenta(B)-thiopyran-5-one
CAS Registry Number 78409-04-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H15ClO2S
InChI InChI=1S/C16H15ClO2S/c1-16(17)9-14-12(15(16)18)7-8-13(20-14)10-3-5-11(19-2)6-4-10/h3-8,14H,9H2,1-2H3
InChIKey LLDUYSDXRORCMX-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference C. Rabiller, G.J. Martin, J.P. Pradere, Org. Magn. Resonance 14, 479 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3