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Trans-p-coumaric acid, o-ethoxycarbonyl-

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Trans-p-coumaric acid, o-ethoxycarbonyl-
SpectraBase Compound ID ABLmRhLHD1B
InChI InChI=1S/C12H12O5/c1-2-16-12(15)17-10-6-3-9(4-7-10)5-8-11(13)14/h3-8H,2H2,1H3,(H,13,14)/b8-5+
InChIKey MCKLHKNVYZKJIK-VMPITWQZSA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8yPUDSpgyYe
Name Trans-p-coumaric acid, o-ethoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.068473481 u
Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-2-16-12(15)17-10-6-3-9(4-7-10)5-8-11(13)14/h3-8H,2H2,1H3,(H,13,14)/b8-5+
InChIKey MCKLHKNVYZKJIK-VMPITWQZSA-N
Molecular Weight 236.223 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)OC(OCC)=O)(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982867