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KDXPJKTUPPILSX-QDXATWJZSA-N
SpectraBase Compound ID 3Rn7fHNBqx0
InChI InChI=1S/C12H16O4.C6H9NO2/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12;1-5(3-4-7)9-6(2)8/h1-4H,5-10H2;5H,3H2,1-2H3/t;5-/m.1/s1
InChIKey KDXPJKTUPPILSX-QDXATWJZSA-N
Mol Weight 351.4 g/mol
Molecular Formula C18H25NO6
Exact Mass 351.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rtyt5xcoXr
Name KDXPJKTUPPILSX-QDXATWJZSA-N
Compound Number 1/7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25NO6
InChI InChI=1S/C12H16O4.C6H9NO2/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12;1-5(3-4-7)9-6(2)8/h1-4H,5-10H2;5H,3H2,1-2H3/t;5-/m.1/s1
InChIKey KDXPJKTUPPILSX-QDXATWJZSA-N
Literature Reference Author T.ITOH,Y.TAKAGI,T.MURAKAMI,Y.HIYAMA,H.TSUKUBE
Literature Reference Citation J.ORG.CHEM.,61,2158(1996)
Literature Reference DOI 10.1021/jo951598+
Molecular Weight 351.400 g/mol
Solvent CDCl3;2-EQUIVALENTS-CROWN-ETHER