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NIGEGLANINE*H2O;NATURAL-2*H2O

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NIGEGLANINE*H2O;NATURAL-2*H2O
SpectraBase Compound ID 8tGtKH5xOki
InChI InChI=1S/C12H14N2O.H2O/c1-9-6-11-10(12(15)7-9)8-13-4-2-3-5-14(11)13;/h6-8H,2-5H2,1H3;1H2
InChIKey GOMYGPKGXHRYOI-UHFFFAOYSA-N
Mol Weight 219.26 g/mol
Molecular Formula C12H15N2O2
Exact Mass 219.113353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sN878C7CRf
Name NIGEGLANINE*H2O;NATURAL-2*H2O
Compound Number 2*H2O
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15N2O2
InChI InChI=1S/C12H14N2O.H2O/c1-9-6-11-10(12(15)7-9)8-13-4-2-3-5-14(11)13;/h6-8H,2-5H2,1H3;1H2
InChIKey GOMYGPKGXHRYOI-UHFFFAOYSA-N
Literature Reference Author E.L.ELLIOTT,S.M.BUSHELL,M.CAVERO,B.TOLAN,T.R.KELLY
Literature Reference Citation ORG.LETTERS,7,2449(2005)
Literature Reference DOI 10.1021/ol050769m
Molecular Weight 219.263 g/mol
Sample ID 43007
Solvent DMSO-D6