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Propanoic acid, 3-(4-benzyloxyphenyl)-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Propanoic acid, 3-(4-benzyloxyphenyl)-, methyl ester
SpectraBase Compound ID 5pAHvYVdgdu
InChI InChI=1S/C17H18O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3
InChIKey XAAMAAXKDLWBKO-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2bBou3gYx8x
Name Propanoic acid, 3-(4-benzyloxyphenyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.125594437 u
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3
InChIKey XAAMAAXKDLWBKO-UHFFFAOYSA-N
SMILES C1=CC(COC2=CC=C(C=C2)CCC(OC)=O)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916978