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Trans-p-coumaric acid, o-(N-propyloxycarbonyl)-

View entire compound with spectra: 1 FTIR

Trans-p-coumaric acid, o-(N-propyloxycarbonyl)-
SpectraBase Compound ID 560ZwhBvjvw
InChI InChI=1S/C13H14O5/c1-2-9-17-13(16)18-11-6-3-10(4-7-11)5-8-12(14)15/h3-8H,2,9H2,1H3,(H,14,15)/b8-5+
InChIKey RJXKEXICYMVLNU-VMPITWQZSA-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 GOeWJln1OZV
Name Trans-p-coumaric acid, o-(N-propyloxycarbonyl)-
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/c1-2-9-17-13(16)18-11-6-3-10(4-7-11)5-8-12(14)15/h3-8H,2,9H2,1H3,(H,14,15)/b8-5+
InChIKey RJXKEXICYMVLNU-VMPITWQZSA-N
Molecular Weight 250.250 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)OC(OCCC)=O)(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973044