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3-(2,4-HYDROXY-5-OXO-1-CYCLOPENTEN-1-YL)-ALANINE
SpectraBase Compound ID 1LUQqK9Kas4
InChI InChI=1S/2C8H11NO5/c2*9-4(8(13)14)1-3-5(10)2-6(11)7(3)12/h2*4,6,10-11H,1-2,9H2,(H,13,14)/t4-,6+;4-,6-/m00/s1
InChIKey BPKHXZHCFRMXLO-QXBXXINISA-N
Mol Weight 402.36 g/mol
Molecular Formula C16H22N2O10
Exact Mass 402.127445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsJ9Naxm425
Name 3-(2,4-HYDROXY-5-OXO-1-CYCLOPENTEN-1-YL)-ALANINE
Compound Number III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22N2O10
InChI InChI=1S/2C8H11NO5/c2*9-4(8(13)14)1-3-5(10)2-6(11)7(3)12/h2*4,6,10-11H,1-2,9H2,(H,13,14)/t4-,6+;4-,6-/m00/s1
InChIKey BPKHXZHCFRMXLO-QXBXXINISA-N
Literature Reference Author Y.KONO,T.KINOSHITA,S.TAKEUCHI,J.M.DALY
Literature Reference Citation AGR.BIOL.CHEM.,53,505(1989)
Literature Reference DOI 10.1271/bbb1961.53.505
Molecular Weight 402.358 g/mol
Solvent D2O
Source File Reference UWIR7643