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N-(O-BENZYLPHOSPHOROTHIOYL)-GLUTAMIC-ACID-TRILITIUM-SALT

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N-(O-BENZYLPHOSPHOROTHIOYL)-GLUTAMIC-ACID-TRILITIUM-SALT
SpectraBase Compound ID 7rdDewC9s7E
InChI InChI=1S/2C12H16NO6PS.6Li/c2*14-11(15)7-6-10(12(16)17)13-20(18,21)19-8-9-4-2-1-3-5-9;;;;;;/h2*1-5,10H,6-8H2,(H,14,15)(H,16,17)(H2,13,18,21);;;;;;/q;;6*+1/p-6
InChIKey QLOHRZORKRBWRX-UHFFFAOYSA-H
Mol Weight 702.18 g/mol
Molecular Formula C24H26Li6N2O12P2S2
Exact Mass 702.136261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G94RfMrB31X
Name N-(O-BENZYLPHOSPHOROTHIOYL)-GLUTAMIC-ACID-TRILITIUM-SALT
Compound Number 9F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26Li6N2O12P2S2
InChI InChI=1S/2C12H16NO6PS.6Li/c2*14-11(15)7-6-10(12(16)17)13-20(18,21)19-8-9-4-2-1-3-5-9;;;;;;/h2*1-5,10H,6-8H2,(H,14,15)(H,16,17)(H2,13,18,21);;;;;;/q;;6*+1/p-6
InChIKey QLOHRZORKRBWRX-UHFFFAOYSA-H
Literature Reference Author J.BARANIAK,R.KACZMAREK,D.KORCZYNSKI,E.WASILEWSKA
Literature Reference Citation J.ORG.CHEM.,67,7267(2002)
Literature Reference DOI 10.1021/jo026027d
Molecular Weight 702.190 g/mol
Solvent CD3OD
Source File Reference UWSI22261