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METHYL-4-THIASTEARATE

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METHYL-4-THIASTEARATE
SpectraBase Compound ID Ke9CaM5dut3
InChI InChI=1S/C18H36O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18(19)20-2/h3-17H2,1-2H3
InChIKey IQLRLCPVSLJFTD-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 Cd3sfAcaWDJ
Name METHYL-4-THIASTEARATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H36O2S
InChI InChI=1S/C18H36O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18(19)20-2/h3-17H2,1-2H3
InChIKey IQLRLCPVSLJFTD-UHFFFAOYSA-N
Literature Reference Author L.FAUCONNOT,P.H.BUIST
Literature Reference Citation J.ORG.CHEM.,66,1210(2001)
Literature Reference DOI 10.1021/jo001294+
Molecular Weight 316.543 g/mol
Solvent CDCl3
Source File Reference UWMS25443