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1,6,7,8-TETRAHYDRO-3,4-AZOCINEDICARBOXYLIC ACID, DIMETHYL ESTER,SODIUM SALT
SpectraBase Compound ID 6PeBFESyt10
InChI InChI=1S/C11H15NO4.Na/c1-15-10(13)8-5-3-4-6-12-7-9(8)11(14)16-2;/h5,7H,3-4,6H2,1-2H3,(H,12,14);/q;+1/p-1/b8-5+;
InChIKey IACNFMOLVMNBPW-HAAWTFQLSA-M
Mol Weight 247.23 g/mol
Molecular Formula C11H14NNaO4
Exact Mass 247.082052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpAU0m2GceG
Name 1,6,7,8-TETRAHYDRO-3,4-AZOCINEDICARBOXYLIC ACID, DIMETHYL ESTER,SODIUM SALT
Source of Sample P. S. Mariano, M. E. Osborn J. Org. Chem. 42, 2903(1977)
CAS Registry Number 62587-52-4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14NNaO4
InChI InChI=1S/C11H15NO4.Na/c1-15-10(13)8-5-3-4-6-12-7-9(8)11(14)16-2;/h5,7H,3-4,6H2,1-2H3,(H,12,14);/q;+1/p-1/b8-5+;
InChIKey IACNFMOLVMNBPW-HAAWTFQLSA-M
Molecular Weight 247.23
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol PS-100
Synonyms 3,4-AZOCINEDICARBOXYLIC ACID, 1,6,7,8- ETRAHYDRO-, DIMETHYL ESTER, SODIUM SALT