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3-(2-Keto-7-methoxy-4-methyl-chromen-3-yl)propionic acid ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

3-(2-Keto-7-methoxy-4-methyl-chromen-3-yl)propionic acid ethyl ester
SpectraBase Compound ID 7rIux6z6u98
InChI InChI=1S/C16H18O5/c1-4-20-15(17)8-7-13-10(2)12-6-5-11(19-3)9-14(12)21-16(13)18/h5-6,9H,4,7-8H2,1-3H3
InChIKey QOTUQJIVMVIAPW-UHFFFAOYSA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GTK3LBMktpa
Name 3-(2-Keto-7-methoxy-4-methyl-chromen-3-yl)propionic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.115423675 u
Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-4-20-15(17)8-7-13-10(2)12-6-5-11(19-3)9-14(12)21-16(13)18/h5-6,9H,4,7-8H2,1-3H3
InChIKey QOTUQJIVMVIAPW-UHFFFAOYSA-N
SMILES C=1(C(OC2=C(C1C)C=CC(OC)=C2)=O)CCC(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933209