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SODIUM-(1,7,9-TRIMETHYL-3,5-DIOXA-12-AZAWURTZITANO)-ACETATE

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SODIUM-(1,7,9-TRIMETHYL-3,5-DIOXA-12-AZAWURTZITANO)-ACETATE
SpectraBase Compound ID KRavRDsrAE2
InChI InChI=1S/C14H21NO4.Na/c1-12-5-13(2)7-14(3,6-12)11-18-9(12)15(4-8(16)17)10(13)19-11;/h9-11H,4-7H2,1-3H3,(H,16,17);/q;+1/p-1/t9-,10+,11-,12-,13-,14-;/m0./s1
InChIKey HIJXDEZMQLNRJW-GLSHATQQSA-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 JSFwNsWknI9
Name SODIUM-(1,7,9-TRIMETHYL-3,5-DIOXA-12-AZAWURTZITANO)-ACETATE
Compound Number 7-NA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20NNaO4
InChI InChI=1S/C14H21NO4.Na/c1-12-5-13(2)7-14(3,6-12)11-18-9(12)15(4-8(16)17)10(13)19-11;/h9-11H,4-7H2,1-3H3,(H,16,17);/q;+1/p-1/t9-,10+,11-,12-,13-,14-;/m0./s1
InChIKey HIJXDEZMQLNRJW-GLSHATQQSA-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 UWMS23387