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METHYL-[7,7-(2)-(H)-(2)]-4-THIASTEARATE

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METHYL-[7,7-(2)-(H)-(2)]-4-THIASTEARATE
SpectraBase Compound ID F1jtAms6zc3
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/i13D2
InChIKey IQLRLCPVSLJFTD-KLTYLHELSA-N
Mol Weight 318.6 g/mol
Molecular Formula C18H342H2O2S
Exact Mass 318.256155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 445fMkNn3Zx
Name METHYL-[7,7-(2)-(H)-(2)]-4-THIASTEARATE
Compound Number [7, 7-(2)-(H)-(2)]-1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H342H2O2S
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/i13D2
InChIKey IQLRLCPVSLJFTD-KLTYLHELSA-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 318.555 g/mol
Solvent CDCl3
Source File Reference UWMS25445