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Benzyl 2-oxo-2H-chromene-3-carboxylate
SpectraBase Compound ID 7dLURnYw4Uy
InChI InChI=1S/C17H12O4/c18-16(20-11-12-6-2-1-3-7-12)14-10-13-8-4-5-9-15(13)21-17(14)19/h1-10H,11H2
InChIKey TWXSEJRQEDMZKQ-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C17H12O4
Exact Mass 280.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICbETXriwGu
Name Benzyl 2-oxo-2H-chromene-3-carboxylate
Alternate Name(s) (phenylmethyl) 2-oxidanylidenechromene-3-carboxylate 2-ketochromene-3-carboxylic acid benzyl ester 2-Oxo-1-benzopyran-3-carboxylic acid (phenylmethyl) ester benzyl 2-oxochromene-3-carboxylate Coumarin-3-carboxylic acid, benzyl ester
CAS Registry Number 324065-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O4
InChI InChI=1S/C17H12O4/c18-16(20-11-12-6-2-1-3-7-12)14-10-13-8-4-5-9-15(13)21-17(14)19/h1-10H,11H2
InChIKey TWXSEJRQEDMZKQ-UHFFFAOYSA-N
Molecular Weight 280.279 g/mol
SMILES C=1(C(Oc2c(C1)cccc2)=O)C(OCc1ccccc1)=O
SPLASH splash10-000g-9400000000-f1c224fa94e62c7e9be8
Source of Spectrum AD-0-2532-0
Wiley ID 1420636