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p-Pentyloxycinnamic acid

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

p-Pentyloxycinnamic acid
SpectraBase Compound ID HMunBs1SPc6
InChI InChI=1S/C14H18O3/c1-2-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16/h5-10H,2-4,11H2,1H3,(H,15,16)/b10-7+
InChIKey WXPBGFBUVHLMSK-JXMROGBWSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9RcwZ218rBp
Name p-Pentyloxycinnamic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-2-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16/h5-10H,2-4,11H2,1H3,(H,15,16)/b10-7+
InChIKey WXPBGFBUVHLMSK-JXMROGBWSA-N
Molecular Weight 234.295 g/mol
SMILES C1=C(C=CC(=C1)OCCCCC)\C=C\C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94263