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N-(2-THIONO-1,3,2-OXATHIAPHOSPHOLANYL)-ALANINE-METHYLESTER
SpectraBase Compound ID 6ekzDL64sBF
InChI InChI=1S/2C6H12NO3PS2/c2*1-5(6(8)9-2)7-11(12)10-3-4-13-11/h2*5H,3-4H2,1-2H3,(H,7,12)
InChIKey VJKCWFQLPGFJPI-UHFFFAOYSA-N
Mol Weight 482.52 g/mol
Molecular Formula C12H24N2O6P2S4
Exact Mass 481.999245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4OYo4JBsvrL
Name N-(2-THIONO-1,3,2-OXATHIAPHOSPHOLANYL)-ALANINE-METHYLESTER
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H24N2O6P2S4
InChI InChI=1S/2C6H12NO3PS2/c2*1-5(6(8)9-2)7-11(12)10-3-4-13-11/h2*5H,3-4H2,1-2H3,(H,7,12)
InChIKey VJKCWFQLPGFJPI-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 482.520 g/mol
Solvent CDCl3
Source File Reference UWSI22218