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3-Methoxybenzoic acid, 3-phenylpropyl ester

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

3-Methoxybenzoic acid, 3-phenylpropyl ester
SpectraBase Compound ID 7sZXx2MsI5v
InChI InChI=1S/C17H18O3/c1-19-16-11-5-10-15(13-16)17(18)20-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13H,6,9,12H2,1H3
InChIKey SOPXONVPFCTXLA-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 FZPgcTy7J7I
Name 3-Methoxybenzoic acid, 3-phenylpropyl 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/c1-19-16-11-5-10-15(13-16)17(18)20-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13H,6,9,12H2,1H3
InChIKey SOPXONVPFCTXLA-UHFFFAOYSA-N
SMILES C1(=CC=CC=C1)CCCOC(C1=CC=CC(=C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870527