John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1Npz9yDpOkv SpectraBase Spectrum ID=10OkH1Vq4i

(accessed ).
N-(2-THIONO-1,3,2-OXATHIAPHOSPHOLANYL)-ASPARTIC-ACID-DIMETHYLESTER
SpectraBase Compound ID 1Npz9yDpOkv
InChI InChI=1S/2C8H14NO5PS2/c2*1-12-7(10)5-6(8(11)13-2)9-15(16)14-3-4-17-15/h2*6H,3-5H2,1-2H3,(H,9,16)
InChIKey NNGHKVGPFIEEMC-UHFFFAOYSA-N
Mol Weight 598.59 g/mol
Molecular Formula C16H28N2O10P2S4
Exact Mass 598.010209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10OkH1Vq4i
Name N-(2-THIONO-1,3,2-OXATHIAPHOSPHOLANYL)-ASPARTIC-ACID-DIMETHYLESTER
Compound Number 3E
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H28N2O10P2S4
InChI InChI=1S/2C8H14NO5PS2/c2*1-12-7(10)5-6(8(11)13-2)9-15(16)14-3-4-17-15/h2*6H,3-5H2,1-2H3,(H,9,16)
InChIKey NNGHKVGPFIEEMC-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 598.593 g/mol
Solvent CDCl3
Source File Reference UWSI22222
SpectraBase Batch ID 2dI8JO1jiYs