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Methyl 4-(2H-chromen-3-yl)-2,4-dioxobutanoate
SpectraBase Compound ID DKQA5w6n4EF
InChI InChI=1S/C14H12O5/c1-18-14(17)12(16)7-11(15)10-6-9-4-2-3-5-13(9)19-8-10/h2-6H,7-8H2,1H3
InChIKey AKEKAHQKKRMBNW-UHFFFAOYSA-N
Mol Weight 260.24 g/mol
Molecular Formula C14H12O5
Exact Mass 260.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HREtazES3K8
Name Methyl 4-(2H-chromen-3-yl)-2,4-dioxobutanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.068473481 u
Formula C14H12O5
InChI InChI=1S/C14H12O5/c1-18-14(17)12(16)7-11(15)10-6-9-4-2-3-5-13(9)19-8-10/h2-6H,7-8H2,1H3
InChIKey AKEKAHQKKRMBNW-UHFFFAOYSA-N
Molecular Weight 260.245 g/mol
SMILES COC(=O)C(=O)CC(=O)C1=CC2=CC=CC=C2OC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878247