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1-[3-(1-PHENOXYPROPAN-2-OL)]-1,3,5-TRIAZINE-2,4,6-TRIONE

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1-[3-(1-PHENOXYPROPAN-2-OL)]-1,3,5-TRIAZINE-2,4,6-TRIONE
SpectraBase Compound ID 1SmjmryyBZa
InChI InChI=1S/C12H13N3O5/c16-8(7-20-9-4-2-1-3-5-9)6-15-11(18)13-10(17)14-12(15)19/h1-5,8,16H,6-7H2,(H2,13,14,17,18,19)
InChIKey UMYPHTFLRUEWAA-UHFFFAOYSA-N
Mol Weight 279.25 g/mol
Molecular Formula C12H13N3O5
Exact Mass 279.085521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 719CSo7BbWC
Name 1-[3-(1-PHENOXYPROPAN-2-OL)]-1,3,5-TRIAZINE-2,4,6-TRIONE
Comments The published unsymmetric assignment of the triazine ring was correctedand the shift-values of triazine-C-6 and the ipso-C of the romatic ringhave been exchanged.
Compound Number 5N
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H13N3O5/c16-8(7-20-9-4-2-1-3-5-9)6-15-11(18)13-10(17)14-12(15)19/h1-5,8,16H,6-7H2,(H2,13,14,17,18,19)
InChIKey UMYPHTFLRUEWAA-UHFFFAOYSA-N
Literature Reference O.ADETCHESSI,D.DESOR,I.FORFAR,C.JARRY J.HETCYCL.CHEM.,34,429(1997)
Solvent Dimethyl sulfoxide-d6