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S-(2,4,6-TRIMETHOXYBENZYL)-L-CYSTEIN-TRIFLUOROACETATE-SALT;TFA(-)-(+)-H2-CYS-(TMOB)-OH

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S-(2,4,6-TRIMETHOXYBENZYL)-L-CYSTEIN-TRIFLUOROACETATE-SALT;TFA(-)-(+)-H2-CYS-(TMOB)-OH
SpectraBase Compound ID 3xQgspxxLxP
InChI InChI=1S/C13H19NO5S.C2HF3O2/c1-17-8-4-11(18-2)9(12(5-8)19-3)6-20-7-10(14)13(15)16;3-2(4,5)1(6)7/h4-5,10H,6-7,14H2,1-3H3,(H,15,16);(H,6,7)
InChIKey YSZKJAHMROZROX-UHFFFAOYSA-N
Mol Weight 415.38 g/mol
Molecular Formula C15H20F3NO7S
Exact Mass 415.091258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4OxRUOnaBYc
Name S-(2,4,6-TRIMETHOXYBENZYL)-L-CYSTEIN-TRIFLUOROACETATE-SALT;TFA(-)-(+)-H2-CYS-(TMOB)-OH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20F3NO7S
InChI InChI=1S/C13H19NO5S.C2HF3O2/c1-17-8-4-11(18-2)9(12(5-8)19-3)6-20-7-10(14)13(15)16;3-2(4,5)1(6)7/h4-5,10H,6-7,14H2,1-3H3,(H,15,16);(H,6,7)
InChIKey YSZKJAHMROZROX-UHFFFAOYSA-N
Literature Reference Author M.C.MUNSON,C.GARCIA-ECHEVERRIA,F.ALBERICIO,G.BARANY
Literature Reference Citation J.ORG.CHEM.,57,3013(1992)
Literature Reference DOI 10.1021/jo00037a013
Molecular Weight 415.382 g/mol
Solvent CD3OD
Source File Reference UWCS3937