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(2S)-2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propionic acid
SpectraBase Compound ID JHDRJ3CkrWq
InChI InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m0/s1
InChIKey KBXXIYHMPQZHCH-VIFPVBQESA-N
Mol Weight 360.26 g/mol
Molecular Formula C13H17N2O8P
Exact Mass 360.072253 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8NWxz4rkpoT
Name (2S)-2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propionic acid
Compound Number 7(D)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N2O8P
InChI InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m0/s1
InChIKey KBXXIYHMPQZHCH-VIFPVBQESA-N
Literature Reference Author L.J.D.SOUZA,B.GIGANT,M.KNOSSOW,B.S.GREEN
Literature Reference Citation J.AM.CHEM.SOC.,124,2114(2002)
Literature Reference DOI 10.1021/ja0170504
Solvent D2O
Source File Reference UWLU47884