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17-Thia-stearic acid, methyl ester
SpectraBase Compound ID Gfyul1OQ3jZ
InChI InChI=1S/C18H36O2S/c1-20-18(19)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-2/h3-17H2,1-2H3
InChIKey FNWROXVAPGUMNB-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 IzfDCevynEr
Name 17-Thia-stearic acid, methyl ester
CAS Registry Number 127705-27-5
Comments ADDITIONAL CH2 SIGNALS AT 29.30-29.70 PPM, LINE FOR C17 AT 15.95 IS CHANGED TO 15.05 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H36O2S
InChI InChI=1S/C18H36O2S/c1-20-18(19)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-2/h3-17H2,1-2H3
InChIKey FNWROXVAPGUMNB-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