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Trans-3-(N-propyloxycarbonyl)oxy-4-methoxycinnamic acid, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Trans-3-(N-propyloxycarbonyl)oxy-4-methoxycinnamic acid, methyl ester
SpectraBase Compound ID 3aOCJhSQnco
InChI InChI=1S/C15H18O6/c1-4-9-20-15(17)21-13-10-11(5-7-12(13)18-2)6-8-14(16)19-3/h5-8,10H,4,9H2,1-3H3/b8-6+
InChIKey QKGAGGQJRZYFIX-SOFGYWHQSA-N
Mol Weight 294.3 g/mol
Molecular Formula C15H18O6
Exact Mass 294.110338 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9vsWLKOEg84
Name Trans-3-(N-propyloxycarbonyl)oxy-4-methoxycinnamic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.110338294 u
Formula C15H18O6
InChI InChI=1S/C15H18O6/c1-4-9-20-15(17)21-13-10-11(5-7-12(13)18-2)6-8-14(16)19-3/h5-8,10H,4,9H2,1-3H3/b8-6+
InChIKey QKGAGGQJRZYFIX-SOFGYWHQSA-N
SMILES C1=C(C=CC(=C1OC(OCCC)=O)OC)\C=C\C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956036