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N-(2-THIONO-1,3,2-OXATHIAPHOSPHOLANYL)-VALINE-METHYLESTER
SpectraBase Compound ID FYBVIElZtN
InChI InChI=1S/2C8H16NO3PS2/c2*1-6(2)7(8(10)11-3)9-13(14)12-4-5-15-13/h2*6-7H,4-5H2,1-3H3,(H,9,14)
InChIKey UVCLGKQPHIRRMF-UHFFFAOYSA-N
Mol Weight 538.63 g/mol
Molecular Formula C16H32N2O6P2S4
Exact Mass 538.061845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYfefg9mpgr
Name N-(2-THIONO-1,3,2-OXATHIAPHOSPHOLANYL)-VALINE-METHYLESTER
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H32N2O6P2S4
InChI InChI=1S/2C8H16NO3PS2/c2*1-6(2)7(8(10)11-3)9-13(14)12-4-5-15-13/h2*6-7H,4-5H2,1-3H3,(H,9,14)
InChIKey UVCLGKQPHIRRMF-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 538.627 g/mol
Solvent CDCl3
Source File Reference UWSI22219