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SODIUM-[(1,7,9-TRIMETHYL-2-OXO-3-OXA-BICYCLO-[3.3.1]-NON-7-YLMETHYLENE)-AMINO]-ACETATE

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SODIUM-[(1,7,9-TRIMETHYL-2-OXO-3-OXA-BICYCLO-[3.3.1]-NON-7-YLMETHYLENE)-AMINO]-ACETATE
SpectraBase Compound ID J6sCaQTPQic
InChI InChI=1S/C14H21NO4.Na/c1-12(8-15-4-10(16)17)5-13(2)7-14(3,6-12)11(18)19-9-13;/h8H,4-7,9H2,1-3H3,(H,16,17);/q;+1/p-1/b15-8+;/t12-,13-,14-;/m0./s1
InChIKey PINKETSEMLBKLN-PEPZIETCSA-M
Mol Weight 289.31 g/mol
Molecular Formula C14H20NNaO4
Exact Mass 289.129002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LvZYmmJlWjX
Name SODIUM-[(1,7,9-TRIMETHYL-2-OXO-3-OXA-BICYCLO-[3.3.1]-NON-7-YLMETHYLENE)-AMINO]-ACETATE
Compound Number 9-NA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20NNaO4
InChI InChI=1S/C14H21NO4.Na/c1-12(8-15-4-10(16)17)5-13(2)7-14(3,6-12)11(18)19-9-13;/h8H,4-7,9H2,1-3H3,(H,16,17);/q;+1/p-1/b15-8+;/t12-,13-,14-;/m0./s1
InChIKey PINKETSEMLBKLN-PEPZIETCSA-M
Literature Reference Author H.IZUMI,S.FUTAMURA
Literature Reference Citation J.ORG.CHEM.,67,1630(2002)
Literature Reference DOI 10.1021/jo011088h
Molecular Weight 289.307 g/mol
Solvent CD3CN:D2O=12:5
Source File Reference UWMS23389