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METHYL-1-[(7-HYDROXY-2-OXO-2H-CHROMEN-4-YL)-METHYL]-1,2,4-TRIAZOLE-3-CARBOXYLATE
SpectraBase Compound ID Jq0h4R6j2cP
InChI InChI=1S/C14H11N3O5/c1-21-14(20)13-15-7-17(16-13)6-8-4-12(19)22-11-5-9(18)2-3-10(8)11/h2-5,7,18H,6H2,1H3
InChIKey ROBZSMHGNGUOCR-UHFFFAOYSA-N
Mol Weight 301.26 g/mol
Molecular Formula C14H11N3O5
Exact Mass 301.06987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4w0Ole3AYgg
Name METHYL-1-[(7-HYDROXY-2-OXO-2H-CHROMEN-4-YL)-METHYL]-1,2,4-TRIAZOLE-3-CARBOXYLATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11N3O5
InChI InChI=1S/C14H11N3O5/c1-21-14(20)13-15-7-17(16-13)6-8-4-12(19)22-11-5-9(18)2-3-10(8)11/h2-5,7,18H,6H2,1H3
InChIKey ROBZSMHGNGUOCR-UHFFFAOYSA-N
Literature Reference Author K.BENCI,L.MANDIC,T.SUHINA,M.SEDIC,M.KLOBUCAR,S.K.PAVELIC,K.P AVELIC,K.WITTINE
Literature Reference Citation MOLECULES,17,11010(2012)
Literature Reference DOI 10.3390/molecules170911010
Molecular Weight 301.258 g/mol
Sample ID 683
Solvent DMSO-D6