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9-Thia-stearic acid, methyl ester

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9-Thia-stearic acid, methyl ester
SpectraBase Compound ID BU6G5HqDVcs
InChI InChI=1S/C18H36O2S/c1-3-4-5-6-7-10-13-16-21-17-14-11-8-9-12-15-18(19)20-2/h3-17H2,1-2H3
InChIKey KOIAEPKOELHGSL-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C18H36O2S
Exact Mass 316.243602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RTYzLX9fjp
Name 9-Thia-stearic acid, methyl ester
CAS Registry Number 114119-38-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H36O2S
InChI InChI=1S/C18H36O2S/c1-3-4-5-6-7-10-13-16-21-17-14-11-8-9-12-15-18(19)20-2/h3-17H2,1-2H3
InChIKey KOIAEPKOELHGSL-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference M.S. Jie, O. Bakare, J. Chem. Soc. Perkin II 2121 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3