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Ethyl 1,8-Dioxo-3-methyl-6-(4-methoxyphenyl)-1H,8H-pyrano[3,4-c]pyran-4-carboxylate
SpectraBase Compound ID 5qTsDMMz6Qe
InChI InChI=1S/C19H16O7/c1-4-24-17(20)15-10(2)25-18(21)16-13(15)9-14(26-19(16)22)11-5-7-12(23-3)8-6-11/h5-9H,4H2,1-3H3
InChIKey VUSCDOGUOXEGMN-UHFFFAOYSA-N
Mol Weight 356.33 g/mol
Molecular Formula C19H16O7
Exact Mass 356.089603 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ar45WxN8EAX
Name Ethyl 1,8-dioxo-3-methyl-6-(4-methoxyphenyl)-1H,8H-pyrano[3,4-C]pyran-4-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.089602848 u
Formula C19H16O7
InChI InChI=1S/C19H16O7/c1-4-24-17(20)15-10(2)25-18(21)16-13(15)9-14(26-19(16)22)11-5-7-12(23-3)8-6-11/h5-9H,4H2,1-3H3
InChIKey VUSCDOGUOXEGMN-UHFFFAOYSA-N
Molecular Weight 356.330 g/mol
SMILES C12=C(C(C(=O)OCC)=C(OC2=O)C)C=C(OC1=O)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949882