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BUPJQRZXFNJFHG-UHFFFAOYSA-N
SpectraBase Compound ID 3VhIxLZgd6T
InChI InChI=1S/C9H12N2O4.C8H11N/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2;9-7-6-8-4-2-1-3-5-8/h5H,3-4H2,1-2H3,(H,10,11,12,13);1-5H,6-7,9H2
InChIKey BUPJQRZXFNJFHG-UHFFFAOYSA-N
Mol Weight 333.39 g/mol
Molecular Formula C17H23N3O4
Exact Mass 333.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Apb6HuFUtOi
Name BUPJQRZXFNJFHG-UHFFFAOYSA-N
Compound Number 1H+2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23N3O4
InChI InChI=1S/C9H12N2O4.C8H11N/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2;9-7-6-8-4-2-1-3-5-8/h5H,3-4H2,1-2H3,(H,10,11,12,13);1-5H,6-7,9H2
InChIKey BUPJQRZXFNJFHG-UHFFFAOYSA-N
Literature Reference Author P.NAVARRO,F.REVIRIEGO,I.ALKORTA,J.ELGUERO,C.LOPEZ,R.M.CLARAM UNT,E.GARCIA-ESPANA
Literature Reference Citation MAGN.RES.CHEM.,44,1067(2006)
Literature Reference DOI 10.1002/mrc.1897
Molecular Weight 333.387 g/mol
Sample ID 63556
Solvent SOLID-STATE