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METHYL-6-(4-METHOXYPHENYL)-2H-THIOPYRAN-3-CARBOXYLATE
SpectraBase Compound ID 5WU43n35KKs
InChI InChI=1S/C14H14O3S/c1-16-12-6-3-10(4-7-12)13-8-5-11(9-18-13)14(15)17-2/h3-8H,9H2,1-2H3
InChIKey NYESRVIIIXQAPP-UHFFFAOYSA-N
Mol Weight 262.32 g/mol
Molecular Formula C14H14O3S
Exact Mass 262.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPlAmbJlDlb
Name 3-Carbomethoxy-6-(4-methoxy-phenyl)-2H-thiopyran
CAS Registry Number 53985-92-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H14O3S
InChI InChI=1S/C14H14O3S/c1-16-12-6-3-10(4-7-12)13-8-5-11(9-18-13)14(15)17-2/h3-8H,9H2,1-2H3
InChIKey NYESRVIIIXQAPP-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