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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aqblc0EGfXz
Name Ethyl 3-coumarincarboxylate
CAS Registry Number 1846-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 218.208 g/mol
SMILES C1(Oc2ccccc2C=C1C(=O)OCC)=O
SPLASH splash10-02g2-7910000000-93f2d119f40e824278b8
Source of Spectrum C5-2003-559-6
Synonyms 1,2-Benzopyran-2-one-3-carboxylic acid, ethyl ester 2-ketochromene-3-carboxylic acid ethyl ester 2-Oxo-1-benzopyran-3-carboxylic acid ethyl ester 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester 3-Carbethoxycoumarin 3-Ethoxycarbonylcoumarin Coumarin-3-carboxylic acid ethyl ester Ethyl 2-oxidanylidenechromene-3-carboxylate Ethyl 2-oxo-2H-chromene-3-carboxylate Ethyl 2-oxochromene-3-carboxylate Ethyl Coumarin-3-carboxylate
Wiley ID 1615525