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(3S,5R)-N-([(1-ETHYNYL-3-HYDROXY-2-METHYL-1-CYCLOHEXEN-5-YL)-OXY]-CARBONYL)-GYCINE
SpectraBase Compound ID KWKUNSy3egv
InChI InChI=1S/C12H15NO5.Na/c1-3-8-4-9(5-10(14)7(8)2)18-12(17)13-6-11(15)16;/h1,9-10,14H,4-6H2,2H3,(H,13,17)(H,15,16);/q;+1/p-1/t9-,10+;/m0./s1
InChIKey MLIUUVHQQMYODE-BAUSSPIASA-M
Mol Weight 275.24 g/mol
Molecular Formula C12H14NNaO5
Exact Mass 275.076967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OQV4evwOdr
Name (3S,5R)-N-([(1-ETHYNYL-3-HYDROXY-2-METHYL-1-CYCLOHEXEN-5-YL)-OXY]-CARBONYL)-GYCINE
Compound Number 21A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14NNaO5
InChI InChI=1S/C12H15NO5.Na/c1-3-8-4-9(5-10(14)7(8)2)18-12(17)13-6-11(15)16;/h1,9-10,14H,4-6H2,2H3,(H,13,17)(H,15,16);/q;+1/p-1/t9-,10+;/m0./s1
InChIKey MLIUUVHQQMYODE-BAUSSPIASA-M
Literature Reference Author M.FERRERO,S.FERNANDEZ,V.GOTOR
Literature Reference Citation J.ORG.CHEM.,62,4358(1997)
Literature Reference DOI 10.1021/jo970133b
Molecular Weight 275.237 g/mol
Solvent CD3OD
Source File Reference UWCS23130