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N-(2-OXO-1,3,2-OXATHIAPHOSPHOLANYL)-ALANINE-METHYLESTER
SpectraBase Compound ID 72qRHFSEggS
InChI InChI=1S/2C6H12NO4PS/c2*1-5(6(8)10-2)7-12(9)11-3-4-13-12/h2*5H,3-4H2,1-2H3,(H,7,9)
InChIKey MZWXTUHKABXMOJ-UHFFFAOYSA-N
Mol Weight 450.4 g/mol
Molecular Formula C12H24N2O8P2S2
Exact Mass 450.044932 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUVteRF81mq
Name N-(2-OXO-1,3,2-OXATHIAPHOSPHOLANYL)-ALANINE-METHYLESTER
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H24N2O8P2S2
InChI InChI=1S/2C6H12NO4PS/c2*1-5(6(8)10-2)7-12(9)11-3-4-13-12/h2*5H,3-4H2,1-2H3,(H,7,9)
InChIKey MZWXTUHKABXMOJ-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
Solvent CD3CN
Source File Reference UWSI22267