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N-(2-THIONO-1,3,2-OXATHIAPHOSPHOLANYL)-TRYPTOPHAN-METHYLESTER
SpectraBase Compound ID FRtQYemsKgV
InChI InChI=1S/2C14H17N2O3PS2/c2*1-18-14(17)13(16-20(21)19-6-7-22-20)8-10-9-15-12-5-3-2-4-11(10)12/h2*2-5,9,13,15H,6-8H2,1H3,(H,16,21)
InChIKey MXGPLOOAQWCGSO-UHFFFAOYSA-N
Mol Weight 712.79 g/mol
Molecular Formula C28H34N4O6P2S4
Exact Mass 712.083644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2tXIv1Y0NHg
Name N-(2-THIONO-1,3,2-OXATHIAPHOSPHOLANYL)-TRYPTOPHAN-METHYLESTER
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34N4O6P2S4
InChI InChI=1S/2C14H17N2O3PS2/c2*1-18-14(17)13(16-20(21)19-6-7-22-20)8-10-9-15-12-5-3-2-4-11(10)12/h2*2-5,9,13,15H,6-8H2,1H3,(H,16,21)
InChIKey MXGPLOOAQWCGSO-UHFFFAOYSA-N
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 712.789 g/mol
Solvent CDCl3
Source File Reference UWSI22225