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SSAFGGJFPMBQBS-UHFFFAOYSA-L

View entire compound with spectra: 1 NMR

SSAFGGJFPMBQBS-UHFFFAOYSA-L
SpectraBase Compound ID 2jdawZKi2m9
InChI InChI=1S/2C12H11NO3.C12H10NO3.2Mg.4H2O.O/c3*1-7(14)10-11(15)8-5-3-4-6-9(8)13(2)12(10)16;;;;;;;/h2*3-6,15H,1-2H3;3-6H,1-2H3;;;4*1H2;/q;;;2*+1;;;;;/p-2
InChIKey SSAFGGJFPMBQBS-UHFFFAOYSA-L
Mol Weight 785.3 g/mol
Molecular Formula C36H38Mg2N3O14
Exact Mass 784.205461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ecr16YCkAho
Name SSAFGGJFPMBQBS-UHFFFAOYSA-L
CAS Registry Number 620945-11-1
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H38Mg2N3O14
InChI InChI=1S/2C12H11NO3.C12H10NO3.2Mg.4H2O.O/c3*1-7(14)10-11(15)8-5-3-4-6-9(8)13(2)12(10)16;;;;;;;/h2*3-6,15H,1-2H3;3-6H,1-2H3;;;4*1H2;/q;;;2*+1;;;;;/p-2
InChIKey SSAFGGJFPMBQBS-UHFFFAOYSA-L
Literature Reference Author G.ATHANASELLIS,E.GAVRIELATOS,O.IGGLESSI-MARKOPOULOU,J.MARKOP OULOS
Literature Reference Citation J.HETCYCL.CHEM.,40,645(2003)
Literature Reference DOI 10.1002/jhet.5570400413
Molecular Weight 785.319 g/mol
Solvent DMSO-D6
Source File Reference UWMS22649