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Trans-o-coumaric acid, o-ethoxycarbonyl-

View entire compound with spectra: 1 FTIR

Trans-o-coumaric acid, o-ethoxycarbonyl-
SpectraBase Compound ID IgtDy1cnFGT
InChI InChI=1S/C12H12O5/c1-2-16-12(15)17-10-6-4-3-5-9(10)7-8-11(13)14/h3-8H,2H2,1H3,(H,13,14)/b8-7+
InChIKey INEBTEFTQJOPEY-BQYQJAHWSA-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 JKgnAjAiOCm
Name Trans-o-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)17-10-6-4-3-5-9(10)7-8-11(13)14/h3-8H,2H2,1H3,(H,13,14)/b8-7+
InChIKey INEBTEFTQJOPEY-BQYQJAHWSA-N
Molecular Weight 236.223 g/mol
SMILES C(\C=C\C1=C(OC(OCC)=O)C=CC=C1)(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980333