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4-(hex-5-en-1-Yloxy)benzoic acid

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

4-(hex-5-en-1-Yloxy)benzoic acid
SpectraBase Compound ID 94S5yXJ5RlU
InChI InChI=1S/C13H16O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h2,6-9H,1,3-5,10H2,(H,14,15)
InChIKey IBSMHZIMQAHZSK-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hd7jGacbWn7
Name 4-(hex-5-en-1-Yloxy)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h2,6-9H,1,3-5,10H2,(H,14,15)
InChIKey IBSMHZIMQAHZSK-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES C(O)(=O)C1=CC=C(OCCCCC=C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838133