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3-BENZYL-5-METHYL-6-CARBOXYMETHYL-2-(1-H)-PYRAZINONE
SpectraBase Compound ID I9L7Y9loubi
InChI InChI=1S/C14H14N2O3/c1-9-11(8-13(17)18)16-14(19)12(15-9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKey ZHCYEDKUNKGDGW-UHFFFAOYSA-N
Mol Weight 258.28 g/mol
Molecular Formula C14H14N2O3
Exact Mass 258.100442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3b4mpvuohIQ
Name 3-BENZYL-5-METHYL-6-CARBOXYMETHYL-2-(1-H)-PYRAZINONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14N2O3
InChI InChI=1S/C14H14N2O3/c1-9-11(8-13(17)18)16-14(19)12(15-9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKey ZHCYEDKUNKGDGW-UHFFFAOYSA-N
Literature Reference Author H.TAGUCHI,T.YOKOI,Y.OKADA
Literature Reference Citation CHEM.PHARM.BULL.,44,2037(1996)
Literature Reference DOI 10.1248/cpb.44.2037
Molecular Weight 258.277 g/mol
Solvent CDCl3
Source File Reference UWMZ17467