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2-oxo-2H-1-benzopyran-3-carboxylic acid, ethyl ester
SpectraBase Compound ID BaSoLClEwsY
InChI InChI=1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
InChIKey XKHPEMKBJGUYCM-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C12H10O4
Exact Mass 218.057909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RjGAjMH9vz
Name ETHYL-2H-1-BENZOPYRAN-2-ONE-3-CARBOXYLATE
Compound Number A 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H10O4
InChI InChI=1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
InChIKey XKHPEMKBJGUYCM-UHFFFAOYSA-N
Literature Reference Author F.J.MARTINEZ-MARTINEZ,R.S.RAZO-HERNANDEZ,A.L.PERAZA-CAMPOS,M .VILLANUEVA-GARCIA
Literature Reference Citation MOLECULES,17,14882(2012)
Literature Reference DOI 10.3390/molecules171214882
Molecular Weight 218.209 g/mol
Sample ID 1013
Solvent DMSO-D6