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3-(4-Ethoxycarbonyloxy-3-methoxyphenyl)-2-propenal

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

3-(4-Ethoxycarbonyloxy-3-methoxyphenyl)-2-propenal
SpectraBase Compound ID A53KaEZwo7o
InChI InChI=1S/C13H14O5/c1-3-17-13(15)18-11-7-6-10(5-4-8-14)9-12(11)16-2/h4-9H,3H2,1-2H3/b5-4+
InChIKey GAYFTEFELCFSRG-SNAWJCMRSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gtd8GN7GhwJ
Name 3-(4-Ethoxycarbonyloxy-3-methoxyphenyl)-2-propenal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.084123546 u
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-3-17-13(15)18-11-7-6-10(5-4-8-14)9-12(11)16-2/h4-9H,3H2,1-2H3/b5-4+
InChIKey GAYFTEFELCFSRG-SNAWJCMRSA-N
Molecular Weight 250.250 g/mol
SMILES C(\C=C\C1=CC(OC)=C(C=C1)OC(OCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926259