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Trans-p-coumaric acid, o-ethoxycarbonyl-, methyl ester

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Trans-p-coumaric acid, o-ethoxycarbonyl-, methyl ester
SpectraBase Compound ID LsJBCmR8r9H
InChI InChI=1S/C13H14O5/c1-3-17-13(15)18-11-7-4-10(5-8-11)6-9-12(14)16-2/h4-9H,3H2,1-2H3/b9-6+
InChIKey UKYIYEUKZICCQC-RMKNXTFCSA-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 HRv5UnDOVF0
Name Trans-p-coumaric acid, o-ethoxycarbonyl-, methyl ester
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)18-11-7-4-10(5-8-11)6-9-12(14)16-2/h4-9H,3H2,1-2H3/b9-6+
InChIKey UKYIYEUKZICCQC-RMKNXTFCSA-N
Molecular Weight 250.250 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)OC(OCC)=O)(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952287